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Profile: ChromaDex Inc. is a supplier of botanical reference standards along with related phytochemical products and services. We provide products and services to food, pharmaceutical, personal care, and dietary supplement markets. We also deal with botanical drugs, fine chemicals, nutraceuticals, pharmaceutical production plant and equipment.

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• Cantharidine

Synonyms: cantharidin, Cantharone, Kantaridin, Cantharides, Cantharides camphor, Blister beetles, Spanish fly, CANTHARIDINE, Kantharidin [German], Caswell No. 157, Cantharis vesicatoria, Ambap5104, Prestwick3_000885, CCRIS 635, NCIMech_000301, BSPBio_000670, HSDB 2181, NSC61805, BPBio1_000738, EINECS 200-263-3

Molecular Formula:	C₁₀H₁₂O₄	Molecular Weight:	196.199880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: DHZBEENLJMYSHQ-XCVPVQRUSA-N

• Canthaxanthin

IUPAC Name: 2,4,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one | CAS Registry Number: 514-78-3
Synonyms: Cantaxanthin, Cantaxanthine, Canthaxanthine, Orobronze, Carophyll Red, Food orange 8, Roxanthin Red 10, L-Orange 7, C.I. Food Orange 8, Canthaxanthin (trans), Ambap3356, 4,4'-Dioxo-beta-carotene, beta,beta-Carotene-4,4'-dione, Carotene-4,4'-dione, beta-, CCRIS 3276, SPECTRUM1504204, EINECS 208-187-2, all-trans,beta-Carotene-4,4'-dione, NSC 374110, C40H52O2

Molecular Formula:	C₄₀H₅₂O₂	Molecular Weight:	564.839680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: FDSDTBUPSURDBL-DKLMTRRASA-N

• Capillarisin

IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenoxy)-6-methoxychromen-4-one | CAS Registry Number: 56365-38-9
Synonyms: Capillarisine, CID5281342, C08999, 2-(p-Hydroxyphenoxy)-6-methoxy-5,7-dihydroxychromone

Molecular Formula:	C₁₆H₁₂O₇	Molecular Weight:	316.262280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	7

InChIKey: NTKNGUAZSFAKEE-UHFFFAOYSA-N

• Capric Acid

IUPAC Name: decanoic acid | CAS Registry Number: 334-48-5
Synonyms: Decanoic acid, n-Capric acid, CAPRIC ACID, n-Decanoic acid, Caprinic acid, Decylic acid, Decoic acid, Caprynic acid, decanoate, n-Decylic acid, n-Decoic acid, caprate, caprinate, Dekansaeure, Kaprinsaeure, n-decanoate, Sodium caprate, Versatic 10, C10 fatty acid, Versatic 10 acid

Molecular Formula:	C₁₀H₂₀O₂	Molecular Weight:	172.264600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N

• Capsaicin

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide | CAS Registry Number: 404-86-4
Synonyms: Zostrix, Styptysat, Axsain, neurotoxic, CAPSAICINE, Capsidol, Capzasin, Transacin, Qutenza, Capsin, Gelcen, Katrum, Zacin, trans-Capsaicin, Capsaicin Patch, (E)-Capsaicin, Capsicum Farmaya, Zostrix HP, Capsaicin [USAN], Farmaya, Capsicum

Molecular Formula:	C₁₈H₂₇NO₃	Molecular Weight:	305.411880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

• Capsanthin

IUPAC Name: (2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one | CAS Registry Number: 465-42-9
Synonyms: Paprika extract, Capsanthin/capsorubin, UPCMLD-DP025, SPECTRUM1505276, CHEBI:3375, UPCMLD-DP025:001, EINECS 207-364-1, LMPR01070265, 3,3'-Dihydroxy-beta,kappa-caroten-6'one, CID5281228, SDCCGMLS-0066894.P001, beta,kappa-Caroten-6'one, 3,3'dihydroxy-, NCGC00161603-01, LS-48670, C08584, (3R,3'S,5'R)-3,3'-Dihydroxy-beta,kappa-caroten-6'-one

Molecular Formula:	C₄₀H₅₆O₃	Molecular Weight:	584.870840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: VYIRVAXUEZSDNC-RDJLEWNRSA-N

• Captopril

IUPAC Name: (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid | CAS Registry Number: 62571-86-2
Synonyms: captopril, Captopryl, Capoten, L-Captopril, Cesplon, Acepress, Alopresin, Capozide, Captolane, Captoril, Garranil, Hypertil, Tenosbon, Tensoprel, Acediur, Aceplus, Acepril, Dilabar, Lopril, Isopresol

Molecular Formula:	C₉H₁₅NO₃S	Molecular Weight:	217.285300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: FAKRSMQSSFJEIM-RQJHMYQMSA-N

• Carbachol

IUPAC Name: 2-carbamoyloxyethyl(trimethyl)azanium chloride | CAS Registry Number: 51-83-2
Synonyms: carbachol, Miostat, Carbacholin, Carbacholine, Carbacolina, Carbamiotin, Carbocholin, Carbocholine, Carbochol, Carcholin, Vasoperif, Rilentol, Coletyl, Jestryl, Carbyl, Lentin, Doryl, Moryl, Carbacholinum, Isopto Carbachol

Molecular Formula:	C₆H₁₅ClN₂O₂	Molecular Weight:	182.648500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AIXAANGOTKPUOY-UHFFFAOYSA-N

• Carbenoxolone

IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(4-hydroxy-4-oxobutanoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid | CAS Registry Number: 5697-56-3
Synonyms: carbenoxolone, Carbenoxolone (INN), Prestwick0_000837, Prestwick1_000837, Prestwick2_000837, Prestwick3_000837, BSPBio_000793, SPBio_002714, BPBio1_000873, CID636403, D07615, BRD-K12765235-304-03-8, (3beta)-3-[(3-carboxypropanoyl)oxy]-11-oxoolean-12-en-30-oic acid, CBO

Molecular Formula:	C₃₄H₅₀O₇	Molecular Weight:	570.756600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: OBZHEBDUNPOCJG-WBXJDKIVSA-N

• Carboplatin

IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+) | CAS Registry Number: 41575-94-4
Synonyms: carboplatin, Paraplatin, Cbdca, Carboplatine [French], Carboplatinum [Latin], Carboplatino [Spanish], CCRIS 3404, JM 8, CHEBI:31355, HSDB 6957, Carboplatin [USAN:BAN:INN:JAN], EINECS 255-446-0, NSC 201345, NSC 241240, NSC-241240, EU-0100230, cis-Diammine(1,1-cyclobutanedicarboxylato)platinum, cis-(1,1-Cyclobutanedicarboxylato)diammineplatinum(II), cis-Diammine(1,1-cyclobutanedicarboxylato)platinum(II), 1,1-Cyclobutanedicarboxylate diammine platinum(II)

Molecular Formula:	C₆H₁₄N₂O₄Pt+₂	Molecular Weight:	373.264360 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: OLESAACUTLOWQZ-UHFFFAOYSA-N

• Carnosol

Synonyms: carnosol, CHEBI:468005, CID442009, C09069

Molecular Formula:	C₂₀H₂₆O₄	Molecular Weight:	330.418040 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XUSYGBPHQBWGAD-PJSUUKDQSA-N

• Carvacrol

IUPAC Name: 2-methyl-5-propan-2-ylphenol | CAS Registry Number: 499-75-2
Synonyms: CARVACROL, Antioxine, Karvakrol, o-Thymol, Isothymol, Isopropyl-o-cresol, 2-p-Cymenol, p-Cymen-2-ol, 5-Isopropyl-2-methylphenol, 2-Hydroxy-p-cymene, 5-Isopropyl-o-cresol, Cymene-2-ol, p-, p-Cymene, 2-hydroxy-, Caswell No. 511, o-Cresol, 5-isopropyl-, 2-Methyl-5-isopropylphenol, Ambap1479, 3-Isopropyl-6-methylphenol, 6-Methyl-3-isopropylphenol, Phenol, 2-methyl-5-(1-methylethyl)-

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N

• Carvacryl acetate

IUPAC Name: (2-methyl-5-propan-2-ylphenyl) acetate | CAS Registry Number: 6380-28-5
Synonyms: Carvacrol acetate, Acetic acid, carvacryl-,, Acetic acid, carvacryl-, 5-Isopropyl-o-tolyl acetate, NSC6601, 5-Isopropyl-2-methylphenyl acetate, CID80792, EINECS 228-963-4, AI3-03429, Phenol, 2-methyl-5-(1-methylethyl)-, acetate, 4395-82-8

Molecular Formula:	C₁₂H₁₆O₂	Molecular Weight:	192.254240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: OXZSUQJHKQOGOK-UHFFFAOYSA-N

• Carvyl Acetate

IUPAC Name: (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) acetate | CAS Registry Number: 97-42-7
Synonyms: Carveol acetate, CARVYL ACETATE, Carvyl acetate E;, trans-Carveyl acetate, (-)-Carvyl acetate, FEMA No. 2250, p-Mentha-6,8-dien-2-ol, acetate, W225002_ALDRICH, p-Mentha-6,8-dien-2-yl acetate, EINECS 202-580-2, p-Mentha-1(6),8-dien-2-yl acetate, BRN 2330666, 1-p-Mentha-6(8,9)-dien-2-yl acetate, LS-2026, NCGC00091401-01, p-Mentha-6,8-dien-2-ol, acetate, cis-, ST5406418, p-Mentha-6,8-dien-2-ol, acetate, cis-L-, 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, 1-06-00-00061 (Beilstein Handbook Reference)

Molecular Formula:	C₁₂H₁₈O₂	Molecular Weight:	194.270120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YTHRBOFHFYZBRJ-UHFFFAOYSA-N

• Caryophyllene

IUPAC Name: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | CAS Registry Number: 87-44-5
Synonyms: BETA-CARYOPHYLLENE, Isocaryophyllene, L-Caryophyllene, beta-Caryophyllen, trans-Caryophyllene, Caryophyllene (VAN), .beta.-(E)-Caryophyllene, (-)-trans-Caryophyllene, beta-Caryophyllene (natural), C9653_SIGMA, W225207_ALDRICH, FEMA No. 2252, 22075_FLUKA, (−)-trans-Caryophyllene, EINECS 201-746-1, LMPR01030030, NSC 11906, SBB012403, NCGC00142620-01, CARYOPHYLLENE ,ALPHA + BETA MIXT.

Molecular Formula:	C₁₅H₂₄	Molecular Weight:	204.351060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NPNUFJAVOOONJE-GFUGXAQUSA-N

• Caryophyllene Oxide

Synonyms: (-)-Caryophyllene oxide, ZINC02083321

Molecular Formula:	C₁₅H₂₄O	Molecular Weight:	220.350460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: NVEQFIOZRFFVFW-GUIRCDHDSA-N

• Castanospermine

IUPAC Name: (1S,6S,7R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol | CAS Registry Number: 79831-76-8
Synonyms: castanospermine, Castinospermine, Indolizine der., 2cbu, 6-Epicastanospermine, 1-epicastanospermine, CAST, nchembio.81-comp13, 6,7-Diepicastanospermine, Ambap1847, MolMap_000013, UPCMLD-DP122, BSPBio_001552, KBioGR_000272, KBioSS_000272, MLS000028641, C3784_SIGMA, 532673_ALDRICH, C8H15NO4, UPCMLD-DP122:001

Molecular Formula:	C₈H₁₅NO₄	Molecular Weight:	189.209000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: JDVVGAQPNNXQDW-TVNFTVLESA-N

• Casticin; Vitexicarpin

IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one | CAS Registry Number: 479-91-4
Synonyms: Vitexicarpin, Casticin, LMPK12113010, CID5315263, Quercetagetin 3,6,7,4'-tetramethyl ether, 3',5-Dihydroxy-3,4',6,7-tetramethoxyflavone, 4H-1-Benzopyran-4-one, 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-

Molecular Formula:	C₁₉H₁₈O₈	Molecular Weight:	374.341420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	8

InChIKey: PJQLSMYMOKWUJG-UHFFFAOYSA-N

• Catalpin

Synonyms: Catalposide, Hydroxybenzoyl catalpol, EINECS 229-789-1, CID93039, LS-71484, C09775, 1a(S)alpha,1bbeta,2beta,5abeta,6beta,6aalpha-Hexahydro-6-((4-hydroxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl beta-D-glucopyranoside, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxybenzoyl)oxy)-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-

Molecular Formula:	C₂₂H₂₆O₁₂	Molecular Weight:	482.434640 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	12

InChIKey: UXSACQOOWZMGSE-RWORTQBESA-N

• Catalpol

Synonyms: Catalpinoside, De(p-hydroxybenzoyl)catalposide, Catalposide, des-p-hydroxybenzoyl-, EINECS 219-324-0, CID91520, LMPR0102070007, NCGC00163523-01, LS-71485, C09773, (1AS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl-beta-D-glucopyranoside, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy- 1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1a-alpha,1b-beta,2-beta,5a-beta,6-beta,6a-alpha))-, beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl, (1aS-(1aalpha,1bbeta,2beta,5abeta,6beta,6aalpha))-

Molecular Formula:	C₁₅H₂₂O₁₀	Molecular Weight:	362.329180 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: LHDWRKICQLTVDL-PZYDOOQISA-N

• Catechin

IUPAC Name: (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol | CAS Registry Number: 154-23-4
Synonyms: Cianidanol, Cyanidanol, D-Catechin, (+)-catechin, Biocatechin, Catergen, Catechinic acid, Catechuic acid, catechol, CATECHIN, Cianidol, Dexcyanidanol, (+)-Catechol, D-Catechol, Catechin (flavan), Catechol (flavan), (+)-Cyanidanol, (+)-Cyanidan-3-ol, Cyanidol, Transepar

Molecular Formula:	C₁₅H₁₄O₆	Molecular Weight:	290.268060 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: PFTAWBLQPZVEMU-DZGCQCFKSA-N

• Catechol

IUPAC Name: benzene-1,2-diol | CAS Registry Number: 120-80-9
Synonyms: pyrocatechol, catechol, 1,2-benzenediol, pyrocatechin, o-Benzenediol, 1,2-dihydroxybenzene, 2-hydroxyphenol, Pyrocatechine, o-Hydroxyphenol, o-Phenylenediol, o-Dioxybenzene, o-Hydroquinone, Oxyphenic acid, benzenediol, Brenzcatechin, o-Dihydroxybenzene, Phthalhydroquinone, Catechin (phenol), Fouramine PCH, Pelagol Grey C

Molecular Formula:	C₆H₆O₂	Molecular Weight:	110.110640 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YCIMNLLNPGFGHC-UHFFFAOYSA-N

• Cis-Aconitic acid

IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid | CAS Registry Number: 585-84-2
Synonyms: cis-Aconitic acid, Achilleaic acid, cis-aconitate, Citridinic acid, Pyrocitric acid, Achilleic acid, Equisetic acid, Citridic acid, cis-Aconic acid, trans-Aconitic acid, ACONITIC ACID, cis-Oxaloacetic acid, 3-Carboxyglutaconic acid, ACONITATE, CIS, Glutaconic acid, 3-carboxy-, 3-Carboxy-2-pentenedioic acid, FEMA No. 2010, CCRIS 2507, HSDB 635, 1-Propene-1,2,3-tricarboxylic acid

Molecular Formula:	C₆H₆O₆	Molecular Weight:	174.108240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N

• Cis-trans-Abscisic acid

IUPAC Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 14375-45-2
Synonyms: Abscisinsaeure, Abszisinsaeure, acido abscisico, Dormin, ABSCISIC ACID, acide abscissique, ()-Abscisic acid, Spectrum5_000342, BSPBio_002916, 2-cis,4-trans-Abscisic acid, A1049_SIGMA, SPECTRUM1502234, 862169_ALDRICH, CHEBI:22152, SBB003072, SDCCGMLS-0066860.P001, NCGC00091094-01, NCGC00091094-02, NCGC00091094-03, NCGC00091094-04

Molecular Formula:	C₁₅H₂₀O₄	Molecular Weight:	264.316900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JLIDBLDQVAYHNE-LXGGSRJLSA-N

• Coenzyme B-12 (Dibencozide)

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol; cobalt(3+); [(2S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate | CAS Registry Number: 13870-90-1
Synonyms: Cobamamide, Calomide, Calomide (TN), Cobamamide (JAN/INN), D00042

Molecular Formula:	C₇₂H₁₀₀CoN₁₈O₁₇P	Molecular Weight:	1579.581761 [g/mol]
H-Bond Donor:	12	H-Bond Acceptor:	29

InChIKey: OAJLVMGLJZXSGX-LHDLICMCSA-L

• Columbianetin Acetate

IUPAC Name: 2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl acetate | CAS Registry Number: 23180-65-6
Synonyms: O-Acetylcolumbianetin, Columbianetin acetate, CID161409, ZINC05166472, 2H-Furo(2,3-h)-1-benzopyran-2-one, 8-(1-(acetyloxy)-1-methylethyl)-8,9-dihydro-, (S)-

Molecular Formula:	C₁₆H₁₆O₅	Molecular Weight:	288.295240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: IQTTZQQJJBEAIM-ZDUSSCGKSA-N

• Cosmosiin

IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 578-74-5
Synonyms: Apigetrin, Cosmetin, COSMOSIIN, Cosmosiine, Cosmosioside, Thalictiin, Cosmosin, Apigenin 7-glucoside, Apigenin 7-O-glucoside, Spectrum_000176, Apigenin-7-O-glucoside, SpecPlus_000927, Spectrum2_001752, Spectrum3_001249, Spectrum4_001741, Spectrum5_000562, Apigenin 7-O-beta-D-glucoside, BSPBio_002758, KBioGR_002182, KBioSS_000656

Molecular Formula:	C₂₁H₂₀O₁₀	Molecular Weight:	432.377500 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	10

InChIKey: KMOUJOKENFFTPU-QNDFHXLGSA-N

• D,L-1'-Acetoxychavicol Acetate

IUPAC Name: [4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate | CAS Registry Number: 52946-22-2
Synonyms: 1'-Acetoxychavicol acetate, CHEBI:469, CCRIS 7708, 1'S-1'-Acetoxychavicol acetate, AIDS184339, AIDS-184339, CID119104, (alphaS)-4-(Acetyloxy)-alpha-ethenylbenzenemethanol, C10426, (1S)-1-[4-(acetyloxy)phenyl]prop-2-en-1-yl acetate, Benzenemethanol, 4-(acetyloxy)-alpha-ethenyl-, acetate, (S)-, Benzenemethanol, 4-(acetyloxy)-.alpha.-ethenyl-, acetate, (.alpha.S)-, aca

Molecular Formula:	C₁₃H₁₄O₄	Molecular Weight:	234.247860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: JAMQIUWGGBSIKZ-ZDUSSCGKSA-N

• D-(+)-Allose

IUPAC Name: (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal | CAS Registry Number: 2595-97-3
Synonyms: allose, D-allose, EINECS 219-994-4, CID102288, ZINC02508226, 6038-51-3, AOS

Molecular Formula:	C₆H₁₂O₆	Molecular Weight:	180.155880 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: GZCGUPFRVQAUEE-BGPJRJDNSA-N

• D-Alanine

IUPAC Name: (2R)-2-aminopropanoic acid | CAS Registry Number: 338-69-2
Synonyms: D-alanine, D-alpha-Alanine, Alanine D-form, (R)-Alanine, D-Alanin, Alanine, D-, D-Ala, D-.alpha.-Alanine, D-2-Aminopropionic acid, Ambap4648, Tocris-0204, D-alpha-Aminopropionsaeure, (R)-2-Aminopropionsaeure, D-alpha-aminopropionic acid, (R)-2-aminopropanoic acid, (R)-2-Aminopropionic acid, (2R)-2-aminopropanoic acid, A7377_SIGMA, CHEBI:15570, AIDS071781

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNAYBMKLOCPYGJ-UWTATZPHSA-N

• D-Altrose

IUPAC Name: (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal | CAS Registry Number: 1990-29-0
Synonyms: D-altropyranose, D-Altro-hexose, D-Alt, ALTROSE, CHEBI:28385, AIDS166729, AIDS-166729, CID94780, EINECS 217-870-4, 5987-68-8

Molecular Formula:	C₆H₁₂O₆	Molecular Weight:	180.155880 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: GZCGUPFRVQAUEE-ARQDHWQXSA-N

• D-Arabinitol

IUPAC Name: pentane-1,2,3,4,5-pentol | CAS Registry Number: 488-82-4
Synonyms: ribitol, adonitol, xylitol, Adonit, Pentitol, Xylite, D-Arabitol, L-arabinitol, L-arabitol, Adonite, arabitol, Arabinitol, D-, arabinitol, D-Arabinol, D-Lyxitol, D-Xylitol, Klinit, meso-ribitol, Arabinitol, L-, Arabinitol-

Molecular Formula:	C₅H₁₂O₅	Molecular Weight:	152.145780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: HEBKCHPVOIAQTA-UHFFFAOYSA-N

• D-Arginine

IUPAC Name: (2R)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 157-06-2
Synonyms: arginine, L-arginine, D-Arginin, (-)-D-Arginine hydrate, ARGININE (L), A2646_SIGMA, D-2-Amino-5-guanidinovaleric acid, 2-amino-5-guanidinovaleric acid, CHEBI:15816, EINECS 205-866-5, (R)-2-amino-5-guanidinopentanoic acid, SBB012372, (2R)-2-amino-5-guanidinopentanoic acid, NCGC00142610-01, NCGC00142610-02, LS-21577, A-8500, C00792, (2R)-2-amino-5-(carbamimidamido)pentanoic acid, 1119-34-2

Molecular Formula:	C₆H₁₄N₄O₂	Molecular Weight:	174.200960 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: ODKSFYDXXFIFQN-SCSAIBSYSA-N

• D-Aspartic Acid

IUPAC Name: (2R)-2-aminobutanedioic acid | CAS Registry Number: 1783-96-6
Synonyms: D-Aspartic acid, D-Aspartate, aspartic acid, aspartate, L-aspartic acid, L-aspartate, Aspartic acid D-form, D-Asparaginsaeure, (R)-Aspartic acid, Aspartic acid, D-, (-)-Aspartic acid, Tocris-0213, (R)-2-aminosuccinic acid, Lopac-A-9256, (S)-Aminobutanedioic acid, Biomol-NT_000167, (R)-2-aminobutanedioic acid, (2R)-2-aminobutanedioic acid, 219096_ALDRICH, BPBio1_001126

Molecular Formula:	C₄H₇NO₄	Molecular Weight:	133.102680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N

• d-Carvone

IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | CAS Registry Number: 2244-16-8
Synonyms: Carvol, (+)-Carvone, CARVONE, (S)-Carvone, (+)-(S)-Carvone, D(+)-Carvone, d-Carvone (natural), ()-Carvone, (4S)-carvone, Carvone, (+)-, (S)-(+)-Carvone, D-(+)-Carvone, carvone, (S)-isomer, (+)-(4S)-carvone, (S)-()-Carvone, CCRIS 2385, p-Mentha-6,8-dien-2-one, W224928_ALDRICH, (S)-(+)-p-Mentha-6,8-dien-2-one, 435759_ALDRICH

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ULDHMXUKGWMISQ-VIFPVBQESA-N

• Delta-3-Carene

IUPAC Name: 3,7,7-trimethylbicyclo[4.1.0]hept-3-ene | CAS Registry Number: 13466-78-9
Synonyms: 3-Carene, Carene, Monoterpenes, S-3-Carene, 3-Karen [Czech], Delta-car-3-ene, Delta(3)-Carene, delta(sup 3)-Carene, DELTA3-Carene, Car-3-ene, (+-)-delta3-Carene, (+)Car-3-ene, (+-)-3-Carene, 3-CARENE (DELTA), 3-Norcarene, 3,7,7-trimethyl-, CHEBI:35661, EINECS 236-719-3, 3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene, BRN 1902766, 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene

Molecular Formula:	C₁₀H₁₆	Molecular Weight:	136.234040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: BQOFWKZOCNGFEC-UHFFFAOYSA-N

• Diallyl Disulfide

IUPAC Name: 3-prop-2-enyldisulfanylprop-1-ene | CAS Registry Number: 2179-57-9
Synonyms: Allyl disulfide, Diallyl disulphide, Allitin, DIALLYL DISULFIDE, Garlicin, Allyl disulphide, 2-Propenyl disulphide, diAllS2, 2-Propenyl disulfide, Disulfide, di-2-propenyl, Di(2-propenyl) disulfide, 4,5-Dithia-1,7-octadiene, FEMA No. 2028, FEMA No. 3533, CCRIS 6290, HSDB 595, 3-allyldisulfanyl-prop-1-ene, SPECTRUM1505174, W202800_ALDRICH, 3,3'-dithiobis(prop-1-ene)

Molecular Formula:	C₆H₁₀S₂	Molecular Weight:	146.273600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PFRGXCVKLLPLIP-UHFFFAOYSA-N

• Dihydrokaempferol

IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one | CAS Registry Number: 480-20-6
Synonyms: aromadendrin, dihydrokaempferol, Aromadendrol, (+)-aromadendrin, Aromadedrin, (+)-Dihydrokaempferol, Arbo 14, DIHYDROKAEMPFEROL-CMPD, MLS000697722, CHEBI:15401, AIDS058985, AIDS-058985, SMR000470989, C00974, (2R,3R)-3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, (2R-trans)-, 20257-56-1, 29400-53-1, 4050-91-3, 5150-32-3

Molecular Formula:	C₁₅H₁₂O₆	Molecular Weight:	288.252180 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: PADQINQHPQKXNL-LSDHHAIUSA-N

• Dimethoxy-3,4-Acetophenone

IUPAC Name: 1-(3,4-dimethoxyphenyl)ethanone | CAS Registry Number: 1131-62-0
Synonyms: Acetoveratrone, 3',4'-Dimethoxyacetophenone, Acetophenone, 3',4'-dimethoxy-, Ethanone, 1-(3,4-dimethoxyphenyl)-, 3,4-DIMETHOXYACETOPHENONE, W510424_ALDRICH, 1-(3,4-Dimethoxyphenyl)ethanone, 3,4-Dimethoxyphenyl methyl ketone, 156639_ALDRICH, 38558_FLUKA, Methyl 3,4-dimethoxyphenyl ketone, NSC16944, NSC18708, EINECS 214-468-0, NSC 16944, NSC 18708, ZINC00154459, 1-(3,4-Dimethoxyphenyl)ethan-1-one, Acetophenone, 3',4'-dimethoxy- (8CI), AI3-11163

Molecular Formula:	C₁₀H₁₂O₃	Molecular Weight:	180.200480 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: IQZLUWLMQNGTIW-UHFFFAOYSA-N

• DL-allo-Threonine

IUPAC Name: 2-amino-3-hydroxybutanoic acid | CAS Registry Number: 144-98-9
Synonyms: threonine, D-Allothreonine, D-threonine, DL-Threonine, L-threonine, Threonine, DL-, Threonin, Allothreonine, D-, L-Allothreonine, Threonine, D-, DL-allothreonine, Allo-DL-threonine, Threonine, L-, Allothreonine, L-, THREONINE,(L), DL-2-Amino-3-hydroxybutanoic acid, WLN: QY1&YZVQ -L, T9643_SIGMA, 2-amino-3-hydroxybutanoic acid, CHEBI:38263

Molecular Formula:	C₄H₉NO₃	Molecular Weight:	119.119160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: AYFVYJQAPQTCCC-UHFFFAOYSA-N

• DL-Arabinose

IUPAC Name: (3R,4S,5S)-oxane-2,3,4,5-tetrol | CAS Registry Number: 147-81-9
Synonyms: L-arabinose, xylose, L-()-Arabinose, L-(+)-Arabinose, L-ARABINOPYRANOSE, A91906_ALDRICH, A3256_SIGMA, 10839_FLUKA, 10839_SIGMA, CHEBI:17535, CID439195, NCGC00166074-01, C00259

Molecular Formula:	C₅H₁₀O₅	Molecular Weight:	150.129900 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: SRBFZHDQGSBBOR-HWQSCIPKSA-N

• DL-Arginine hydrochloride monohydrate

IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;hydrochloride | CAS Registry Number: 32042-43-6
Synonyms: DL-Arginine hydrochloride, argininhydrochlorid, DL-Arginine HCl, Arginine Hydrochloride, 1-Hydrochloride arginine, NSC7914, DL-(+/-)-Arginine Hydrochloride, D-Arginine monohydrochloride, Poly-L-arginine hydrochloride, L-arginine, hydrochloride, WLN: MUYZM3YZVQ &GH, D-ARGININE HCL, Arginine, d-, Arginine monohydrochloride, L-(+)-, L(+)-Arginine hydrochloride, 15595-35-4, PubChem7936, R-gene (TN), H-DL-Arg-OH.HCl, ACMC-20aj4v

Molecular Formula:	C₆H₁₅ClN₄O₂	Molecular Weight:	210.661900 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	4

InChIKey: KWTQSFXGGICVPE-UHFFFAOYSA-N

• DL-Asparagine Monohydrate

IUPAC Name: 2,4-diamino-4-oxobutanoic acid | CAS Registry Number: 3130-87-8
Synonyms: asparagine, L-asparagine, DL-Asparagine, D-Asparagine, agedoite, altheine, asparagin, asparagina, Asparagine, DL-, Hasp, Asparagine, L-, DL-Aspartamine, Asparagine (VAN), Asparagine D-form, (-)-asparagine, ( -)-Asparagine, L-(+)-Asparagine, L-.beta.-Asparagine, l-Asparagine monohydrate, WLN: ZV1YZVQ

Molecular Formula:	C₄H₈N₂O₃	Molecular Weight:	132.117920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: DCXYFEDJOCDNAF-UHFFFAOYSA-N

• DL-Carnitine HCl

IUPAC Name: (2,4-dihydroxy-4-oxobutyl)-trimethylazanium chloride | CAS Registry Number: 461-05-2
Synonyms: bicarnesine, Carnitine chloride, Monocamin, Entomin, L-Carnitine chloride, levocarnitine chloride, Carnitine hydrochloride, Entomin (TN), L-Carnitine hydrochloride, ()-Carnitine chloride, DL-Carnitine hydrochloride, d,l-Carnitine hydrochloride, Carnitine DL- hydrochloride, (R)-Carnitine hydrochloride, Carnitine chloride (JAN), ()-Carnitine hydrochloride, (+-)-Carnitine hydrochloride, Carnitine L-form hydrochloride, C7H15NO3.HCl, MLS001332614

Molecular Formula:	C₇H₁₆ClNO₃	Molecular Weight:	197.659840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JXXCENBLGFBQJM-UHFFFAOYSA-N

• Escin

IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid; (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | CAS Registry Number: 11072-93-8
Synonyms: beta-Escin, beta-Aescusan, beta-Reparil, beta-Aescin, beta-Aescinu [Czech], AIDS166751, AIDS-166751, Beta-Escin, beta-Reparil, beta-Aescinu, LS-64705

Molecular Formula:	C₁₁₀H₁₇₂O₄₈	Molecular Weight:	2262.513880 [g/mol]
H-Bond Donor:	26	H-Bond Acceptor:	48

InChIKey: YFESOSRPNPYODN-LNXBMLMBSA-N

• Escin Ib

IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid | CAS Registry Number: 26339-90-2
Synonyms: Aescin, CHEBI:2500, escin Ib, escine Ib, Aescine (DCF), Reparil (TN), AC1O52HI, CHEMBL505939, 6805-41-0, FT-0686609, C08921, D07912, (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid, 2-Butenoic acid, 2-methyl-, (3.beta.,4.beta.,16.alpha.,21.beta.,22.alpha.)-22-(acetyloxy)-3-[[O-.beta.-D-glucopyranosyl-(1->2)-O-[.beta.-D-glucopyranosyl-(1->4)]-.beta.-D-glucopyranuronosyl]oxy]-16,23,28-trihydroxyolean-12-en-21-yl ester, (2Z)-

Molecular Formula:	C₅₅H₈₆O₂₄	Molecular Weight:	1131.256940 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	24

InChIKey: AXNVHPCVMSNXNP-OXPBSUTMSA-N

• Ethyl Benzoate

IUPAC Name: ethyl benzoate | CAS Registry Number: 93-89-0
Synonyms: ETHYL BENZOATE, Benzoic ether, Benzoic acid, ethyl ester, Ethyl benzenecarboxylate, Benzoyl ethyl ether, Essence of niobe, Ethyl benzoate (natural), WLN: 2OVR, FEMA No. 2422, E12907_ALDRICH, W242209_ALDRICH, W242217_ALDRICH, BENZOIC ACID,ETHYL ESTER, NSC 8884, EINECS 202-284-3, CID7165, Ethylester kyseliny benzoove [Czech], NSC8884, AIDS018030, AIDS-018030

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MTZQAGJQAFMTAQ-UHFFFAOYSA-N

• Ethyl Caprate

IUPAC Name: ethyl decanoate | CAS Registry Number: 110-38-3
Synonyms: Ethyl caprate, Ethyl caprinate, Ethyl decylate, ETHYL DECANOATE, Decanoic acid, ethyl ester, Capric acid ethyl ester, Capric acid, ethyl ester, Ethyl decanoate (natural), FEMA No. 2432, WLN: 9VO2, W243205_ALDRICH, W243213_ALDRICH, 148970_ALDRICH, NSC 8909, EINECS 203-761-9, NSC8909, BRN 1762128, AI3-01976, LS-2720, 4-02-00-01044 (Beilstein Handbook Reference)

Molecular Formula:	C₁₂H₂₄O₂	Molecular Weight:	200.317760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: RGXWDWUGBIJHDO-UHFFFAOYSA-N

• Ethyl Caproate

IUPAC Name: ethyl hexanoate | CAS Registry Number: 123-66-0
Synonyms: Ethyl caproate, Ethyl hexoate, ETHYL HEXANOATE, Hexanoic acid, ethyl ester, Ethyl butyl acetate, Capronic ether absolute, Caproic acid ethylester, Ethyl hexanoate (caproate), Caproic acid ethyl ester, FEMA No. 2439, Acetic acid, butyl-, ethyl ester, CCRIS 6555, WLN: 5VO2, W243906_ALDRICH, W243914_ALDRICH, 148962_ALDRICH, NSC 8882, EINECS 204-640-3, NSC8882, Ethyl hexanoate (caproate) (natural)

Molecular Formula:	C₈H₁₆O₂	Molecular Weight:	144.211440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: SHZIWNPUGXLXDT-UHFFFAOYSA-N

• Ethyl Caprylate(Ethyl Octanoate)

IUPAC Name: ethyl octanoate | CAS Registry Number: 106-32-1
Synonyms: Ethyl caprylate, Ethyl octoate, ETHYL OCTANOATE, Ethyl octylate, Ethyl n-octanoate, Octanoic acid, ethyl ester, Caprylic acid ethyl ester, Ethyl octanoate (natural), Caprylic acid ethylester, FEMA No. 2449, WLN: 7VO2, W244902_ALDRICH, W244910_ALDRICH, 112321_ALDRICH, NSC 8898, 21670_FLUKA, EINECS 203-385-5, NSC8898, BRN 1754470, AI3-01977

Molecular Formula:	C₁₀H₂₀O₂	Molecular Weight:	172.264600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YYZUSRORWSJGET-UHFFFAOYSA-N