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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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• A-Butyrolactone

IUPAC Name: oxolan-2-one | CAS Registry Number: 96-48-0
Synonyms: gamma-Butyrolactone, 4-Butyrolactone, Butyrylactone, Butyryl lactone, BUTYROLACTONE, 4-Butanolide, 1,2-Butanolide, 1,4-Butanolide, 2-Oxolanone, gamma-BL, 4-Deoxytetronic acid, Butyric acid lactone, Agrisynth BLO, BLON, butyrl lactone, Dihydro-2-furanone, dihydrofuran-2(3H)-one, Tetrahydro-2-furanone, gamma-Butanolactone, 1,4-Lactone

Molecular Formula:	C₄H₆O₂	Molecular Weight:	86.089240 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YEJRWHAVMIAJKC-UHFFFAOYSA-N

• A-Carotene

IUPAC Name: 1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | CAS Registry Number: 7488-99-5
Synonyms: ALPHA-CAROTENE, Hi-Alpha, beta,epsilon-Carotene, (+)-alpha-Carotene, all-trans-alpha-Carotene, alpha-Carotene (natural), .beta.,.epsilon.-Carotene, alpha-Carotene, all-trans-, (6'R)-beta,epsilon-Carotene, .alpha.-Carotene, all-trans-, CCRIS 6294, .beta.,.epsilon.-Carotene, neo, CHEBI:28425, beta,epsilon-Carotene, (6'R)-, LMPR01070258, NCGC00181744-01, C05433, 4',5'-Didehydro-5',6'-dihydro-beta,beta-carotene, 432-70-2, (all-E)-1,3,3-Trimethyl-2-(3,7,12,1-tetramethyl-18-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1,3,5,7,9,11,13,15,17-octadecanonaenyl)cyclohexene

Molecular Formula:	C₄₀H₅₆	Molecular Weight:	536.872640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ANVAOWXLWRTKGA-JLTXGRSLSA-N

• a-Ketoleucine Calcium Salt

IUPAC Name: 4-methyl-2-oxopentanoic acid | CAS Registry Number: 51828-95-6
Synonyms: 2-Oxoisocaproate, Ketoleucine, 2-ketoisocaproate, alpha-oxoisocaproate, alpha-ketoisocaproate, Isopropylpyruvic acid, 4-methyl-2-oxopentanoate, 4-Methyl-2-oxovaleric acid, 2-Oxoisocaproic acid, 4-methyl-2-oxopentanoic acid, alpha-Ketoisocaproic acid, 2-oxo-4-methylpentanoate, 2-keto-4-methyl-pentanoate, 2K-4CH3-PENTANOATE, 2-KETOISOCAPROIC ACID, 2-OXO-4-METHYLPENTANOIC ACID, Calcium 4-methyl-2-oxovalerate, 68255_FLUKA, CHEBI:48430, Pentanoic acid, 4-methyl-2-oxo-

Molecular Formula:	C₆H₁₀O₃	Molecular Weight:	130.141800 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BKAJNAXTPSGJCU-UHFFFAOYSA-N

• Abietic Acid

IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid | CAS Registry Number: 514-10-3
Synonyms: ABIETIC ACID, Abietate, Sylvic acid, l-Abietic acid, (-)-Abietic acid, Abietic acid, technical, Kyselina abietova [Czech], 7,13-Abietadien-18-oic acid, ABIETIC ACID, PRACT, Abieta-7,13-dien-18-oic acid, CCRIS 3183, A9424_SIGMA, NSC25149, 00010_FLUKA, CHEBI:28987, EINECS 208-178-3, NSC 25149, C20H30O2, 13-Isopropylpodocarpa-7,13-dien-15-oic acid, LMPR01040063

Molecular Formula:	C₂₀H₃₀O₂	Molecular Weight:	302.451000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

• Abscisic Acid

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 21293-29-8
Synonyms: Abscisin II, ABSCISIC ACID, Abscisate, Dormin, Dormin (VAN), (+)-Abscisic acid, ()-Abscisic acid, (S)-(+)-Abscisic acid, Ambap5078, Acide abscisique [French], Dormin (abscission factor), 2-cis,4-trans-Abscisic acid, cis-trans-(+)-Abscissic acid, A4906_SIGMA, CHEBI:2365, EINECS 244-319-5, NSC 146877, NSC 148832, BRN 2698956, SMP2_000105

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

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

• Acacetin

IUPAC Name: 5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 480-44-4
Synonyms: acacetin, Linarigenin, Linarisenin, Acacetine, Buddleoflavonol, Akatsetin, 4'-Methoxyapigenin, Acaceztin, Prestwick_49, ACAETIN, Apigenin 4'-methyl ether, Apisenin 4'-methyl ether, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin 4'-dimethyl ether, Spectrum_000135, 5,7-Dioxy-4'-methoxyflavone, Prestwick0_000695, Prestwick1_000695, Prestwick2_000695, Prestwick3_000695

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: DANYIYRPLHHOCZ-UHFFFAOYSA-N

• Acetaminophen

IUPAC Name: N-(4-hydroxyphenyl)acetamide | CAS Registry Number: 103-90-2
Synonyms: acetaminophen, Paracetamol, Tylenol, Datril, Acetaminofen, Algotropyl, Naprinol, 4-Acetamidophenol, Lonarid, Panadol, Acamol, Anelix, Multin, APAP, p-Acetamidophenol, p-Acetaminophenol, Paracetamolo, Abensanil, Acetagesic, Acetalgin

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RZVAJINKPMORJF-UHFFFAOYSA-N

• Acetic Acid Benzyl Ester

IUPAC Name: phenylmethyl acetate | CAS Registry Number: 140-11-4
Synonyms: BENZYL ACETATE, Benzyl ethanoate, benzylacetate, Phenylmethyl acetate, Acetic acid, benzyl ester, Phenylmethyl ethanoate, alpha-Acetoxytoluene, Acetic acid, phenylmethyl ester, nchem.167-comp5, Caswell No. 081EA, Acetic acid benzyl ester, (Acetoxymethyl)benzene, Benzyl acetate (natural), .alpha.-Acetoxytoluene, ACETATO DE BENCILO, FEMA No. 2135, CCRIS 1423, NCI-C06508, WLN: 1VO1R, B15805_ALDRICH

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

InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N

• Acetovanillone

IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethanone | CAS Registry Number: 498-02-2
Synonyms: apocynin, Acetoguaiacone, Apocynine, Acetoguaiacon, Acetovanilone, Acetovanyllon, Acetovanillon, 4-Acetyl-2-methoxyphenol, nchembio.83-comp20, 4'-Hydroxy-3'-methoxyacetophenone, 3-Methoxy-4-hydroxyacetophenone, Acetophenone, 4'-hydroxy-3'-methoxy-, CCRIS 7285, 1-(4-Hydroxy-3-methoxyphenyl)ethanone, 4-HYDROXY-3-METHOXYACETOPHENONE, WLN: 1VR DQ CO1, A10809_ALDRICH, Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-, MLS001304972, W508454_ALDRICH

Molecular Formula:	C₉H₁₀O₃	Molecular Weight:	166.173900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DFYRUELUNQRZTB-UHFFFAOYSA-N

• Acetyl Cysteine

IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid | CAS Registry Number: 616-91-1
Synonyms: acetylcysteine, N-Acetyl-L-cysteine, N-Acetylcysteine, Broncholysin, Acetadote, Fluimucil, Mucomyst, Parvolex, Airbron, Mucosil, Brunac, Fabrol, mercapturic acid, L-Acetylcysteine, Fluimucetin, Flumucetin, Mucosolvin, Fluprowit, Lysomucil, Mucofilin

Molecular Formula:	C₅H₉NO₃S	Molecular Weight:	163.194860 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N

• Acetyl-4-fluoro-DL-phenylalanine

IUPAC Name: (2R)-2-acetamido-3-(4-fluorophenyl)propanoic acid | CAS Registry Number: 17481-06-0
Synonyms: N-ACETYL-P-FLUOROPHENYLALANINE

Molecular Formula:	C₁₁H₁₂FNO₃	Molecular Weight:	225.216283 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: NRLBRFQYMSTLJK-SNVBAGLBSA-N

• Acetyl-L-Carnitine HCL

IUPAC Name: 3-acetyloxy-4-(trimethylazaniumyl)butanoate hydrochloride | CAS Registry Number: 5080-50-2
Synonyms: o-Acetyl-L-carnitine hydrochloride, Acetylcarnitine L-form hydrochloride, 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, chloride, (R)-

Molecular Formula:	C₉H₁₈ClNO₄	Molecular Weight:	239.696520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: JATPLOXBFFRHDN-UHFFFAOYSA-N

• Aconitine

Synonyms: aconitine, CHEBI:2430, NSC56464, STOCK1N-54397, CID245005, NCI60_004380, C06091, 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate, 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate

Molecular Formula:	C₃₄H₄₇NO₁₁	Molecular Weight:	645.737080 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	12

InChIKey: XFSBVAOIAHNAPC-XTHSEXKGSA-N

• Adamantane

IUPAC Name: adamantane | CAS Registry Number: 281-23-2
Synonyms: ADAMANTANE, Adamantylidene, Adamantan, Adamantanylidene, Adamantane (8CI), Tricyclo(3.3.1.13,7)decane, tricyclo[3.3.1.1~3,7~]decane, Tricyclo[3.3.1.1(3,7)]decane, 100277_ALDRICH, CHEBI:40519, EINECS 206-001-4, CID9238, Tricyclo[3.3.1.13,7]decane, NSC 527913, NSC527913, Tricyclo[3.3.1.13,7]dec-2-yl, DB03627, Tricyclo(3.3.1.1(3,7))decylidene, LS-157064, ADM

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

InChIKey: ORILYTVJVMAKLC-UHFFFAOYSA-N

• Adenine

IUPAC Name: 7H-purin-6-amine | CAS Registry Number: 73-24-5
Synonyms: adenine, 6-Aminopurine, Adenin, Adeninimine, 1H-Purin-6-amine, Vitamin B4, Leuco-4, 2-aminopurine, Purine, 6-amino-, 9H-Purin-6-amine, Leucon, 6-Amino-1H-purine, 6-Amino-3H-purine, 6-Amino-7H-purine, 6-Amino-9H-purine, adenine-ring, Pedatisectine B, Adenine [JAN], 1jys, 1nli

Molecular Formula:	C₅H₅N₅	Molecular Weight:	135.126700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N

• Adenosine

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 58-61-7
Synonyms: adenosine, Adenine riboside, Adenocard, Adenoscan, deoxyadenosine, Desoxyadenosine, Nucleocardyl, Sandesin, Boniton, Myocol, beta-Adenosine, beta-D-Adenosine, Adenine nucleoside, Polyadenosine, Adenosin, Adenyldeoxyriboside, Polyriboadenosine, Adenosin [German], adenine-D-ribose, 1odi

Molecular Formula:	C₁₀H₁₃N₅O₄	Molecular Weight:	267.241320 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	9

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

• Adonitol

IUPAC Name: (2S,4R)-pentane-1,2,3,4,5-pentol | CAS Registry Number: 488-81-3
Synonyms: adonitol, xylitol, Xylite, ribitol, Pentitol, Adonite, Xyliton, Adonit, Eutrit, Kannit, Klinit, Newtol, D-Xylitol, D-ribitol, meso-ribitol, meso-xylitol, Xylit, Xylite (sugar), L-arabitol, D-Adonitol

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

InChIKey: HEBKCHPVOIAQTA-NGQZWQHPSA-N

• Adrenal

IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol | CAS Registry Number: 51-43-4
Synonyms: epinephrine, l-Adrenaline, adrenaline, Adrenalin, Levoepinephrine, L-epinephrine, Adrenalinum, Epinephran, Epipen, l-Epirenamine, Antiasthmatique, Methylarterenol, Esphygmogenina, Hypernephrin, Isoptoepinal, Racepinephrine, Renostypticin, Sphygmogenin, Stryptirenal, Supracapsulin

Molecular Formula:	C₉H₁₃NO₃	Molecular Weight:	183.204420 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: UCTWMZQNUQWSLP-VIFPVBQESA-N

• Adrenochrome

IUPAC Name: 3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione | CAS Registry Number: 54-06-8
Synonyms: Adraxone, 1-Adrenochrome, USAF uctl-7, ADRENOCHROME, L-, C9H9NO3, A5752_SIGMA, 3-Hydroxy-1-methyl-5,6-indolinedione, EINECS 200-192-8, NSC407840, 3-Hydroxy-1-methylindoline-5,6-dione, NSC383491, NCGC00163348-01, LS-83454, 5,6-INDOLINEDIONE, 3-HYDROXY-1-METHYL-, A-3200, 2,3-Dihydro-3-hydroxy-1-methyl-1H-indole-5,6-dione, 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl-, 1H-Indole-5,6-dione, 2,3-dihydro-3-hydroxy-1-methyl- (9CI), 7506-92-5

Molecular Formula:	C₉H₉NO₃	Molecular Weight:	179.172660 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: RPHLQSHHTJORHI-UHFFFAOYSA-N

• Adrenosterone

IUPAC Name: (8S,9S,10R,13S,14S)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione | CAS Registry Number: 382-45-6
Synonyms: ADRENOSTERONE, Reichstein's substance G, 11-Ketoandrostenedione, Prestwick0_000899, Prestwick1_000899, Prestwick2_000899, Prestwick3_000899, 11-Oxy-4-androstenedione, Androst-4-ene-3,11,17-trione, BSPBio_000718, MLS000028712, MLS001146874, SPBio_002927, 284998_ALDRICH, BPBio1_000790, 4-Androstene-3,11,17-trione, NSC12166, CID223997, NCGC00179466-01, SMR000059216

Molecular Formula:	C₁₉H₂₄O₃	Molecular Weight:	300.392060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: RZRPTBIGEANTGU-IRIMSJTPSA-N

• Aflatoxin B

Synonyms: AFLATOXIN B1, Aflatoxin-B1, AFBI, AFB1, CCRIS 12, HSDB 3453, HSDB-3453, Aflatoxin B1, cis(+,-)-Isomer, AIDS130418, AIDS-130418, EINECS 214-603-3, LMPK02000020, NSC529592, NSC 529592, NSC-529592, BRN 1269174, Aflatoxin B1, (6aR-cis)-Isomer, 2H-Labeled, Aflatoxin B1, (6aR-cis)-Isomer, 3H-Labeled, C06800, Aflatoxin B1 Dihydrochloride, (6aR-cis)-Isomer

Molecular Formula:	C₁₇H₁₂O₆	Molecular Weight:	312.273580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: OQIQSTLJSLGHID-UHFFFAOYSA-N

• Aflatoxin B2

Synonyms: Dihydroaflatoxin B1, AFLATOXIN B2, Aflatoxin B2 solution, 46324U_SUPELCO, A9887_SIGMA, 34034_RIEDEL, 34034_FLUKA, CPD-10177, ZINC00402720, CID2724360

Molecular Formula:	C₁₇H₁₄O₆	Molecular Weight:	314.289460 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	6

InChIKey: WWSYXEZEXMQWHT-WNWIJWBNSA-N

• Aflatoxin G

Synonyms: Aflatoxin, AFLATOXIN G1, Aflatoxin, crude, AFLATOXINS, Aflatoxin G1 solution, CCRIS 14, 46325U_SUPELCO, HSDB 3455, A0138_SIGMA, 34032_RIEDEL, EINECS 214-615-9, HSDB 3411, CID14421, BRN 1299768, CPD-10178, LS-15307, LS-70763, 5-19-12-00081 (Beilstein Handbook Reference), (7AR,cis)3,4,7a,10a-tetrahydro-5-methoxy-1H,12H-furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)chromene-1,12-dione, 1H,12H-Furo(3',2':4,5)furo(2,3-h)pyrano(3,4-c)(1)benzopyran-1,12-dione, 3,4,7a,10a-tetrahydro-5-methoxy-

Molecular Formula:	C₁₇H₁₂O₇	Molecular Weight:	328.272980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: XWIYFDMXXLINPU-UHFFFAOYSA-N

• Aflatoxin G2

IUPAC Name: 3-[4-[(3-chlorophenyl)methoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 7241-98-7

Molecular Formula:	C₁₈H₁₈ClNO₄	Molecular Weight:	347.792820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: BHCOKYJYXDKTPG-UHFFFAOYSA-N

• Agaric Acid

IUPAC Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid | CAS Registry Number: 666-99-9
Synonyms: Agaricic acid, Agaricin, Agaric acid, Agaricinic acid, Laricic acid, Agaricinsaeure, alpha-Cetylcitric acid, n-Hexadecylcitric acid, .alpha.-Cetylcitric acid, A7384_SIGMA, NSC 60429, NSC 65690, NSC60429, NSC65690, EINECS 211-566-5, CHEBI:226878, CID12629, BRN 1729981, NCGC00167547-01, 2-Hydroxy-1,2,3-nonadecanetricarboxylic acid

Molecular Formula:	C₂₂H₄₀O₇	Molecular Weight:	416.548800 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: HZLCGUXUOFWCCN-UHFFFAOYSA-N

• Agnuside

IUPAC Name: [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate | CAS Registry Number: 11027-63-7
Synonyms: MEGxp0_000767, ACon1_000039, CID442416, NCGC00168851-01, C09765, BRD-K25132901-001-01-5

Molecular Formula:	C₂₂H₂₆O₁₁	Molecular Weight:	466.435240 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	11

InChIKey: GLACGTLACKLUJX-QNAXTHAFSA-N

• Albiflorin

Synonyms: 9-((Benzoyloxy)methyl)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-7-oxatricyclononan-8-one

Molecular Formula:	C₂₃H₂₈O₁₁	Molecular Weight:	480.461820 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	11

InChIKey: QQUHMASGPODSIW-RPLHGOISSA-N

• Albizzin

IUPAC Name: (2S)-2-amino-3-(carbamoylamino)propanoic acid | CAS Registry Number: 1483-07-4
Synonyms: Albizziin, L-Albizziine, Albizzine, L-Albizziin, Albizziin (VAN), 3-Ureido-L-alanin, L-beta-Ureidoalanine, Ambap7483, L-2-Amino-3-ureidopropionic acid, 861456_ALDRICH, EINECS 216-046-1, L-Alanine, 3-((aminocarbonyl)amino)-, NSC 132089, NSC 407273, L-(-)-2-Amino-3-ureidopropionic acid, Propionic acid, 2-amino-3-ureido-, L-, A-4650, C08264, L-(−)-2-Amino-3-ureidopropionic acid

Molecular Formula:	C₄H₉N₃O₃	Molecular Weight:	147.132560 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: GZYFIMLSHBLMKF-REOHCLBHSA-N

• Aldosterone

IUPAC Name: (8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde | CAS Registry Number: 52-39-1
Synonyms: ALDOSTERONE, Electrocortin, Aldocortin, Elektrocortin, Aldocorten, Aldocortene, d-Aldosterone, Reichstein X, (+)-Aldosterone, 18-Oxocorticosterone, 18-Aldocorticosterone, Aldosteronum [INN-Latin], Aldosterona [INN-Spanish], MLS001333163, MLS001333164, A9477_SIGMA, Aldosterone [BAN:DCF:INN], Aldosterone [INN:BAN:DCF], NSC 73856, CHEBI:27584

Molecular Formula:	C₂₁H₂₈O₅	Molecular Weight:	360.444020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N

• Aleuritic Acid

IUPAC Name: 9,10,16-trihydroxyhexadecanoic acid | CAS Registry Number: 533-87-9
Synonyms: Aleuritic acid, Aleuritolic acid, alpha-Aleuritic acid, beta-Aleuritic acid, erythro-Aleuritic acid, Aleuritic acid (alpha), Aleuritic acid, tech, Synthetic aleuritic acid, Aleuritic acid, tech., DL-erythro-Aleuritic acid, (.+/-.)-Aleuritic acid, (+-)-erythro-Aleuritic acid, NSC 7668, EINECS 208-578-8, NSC7668, 9,10,16-Trihydroxyhexadecanoic acid, 9,10,16-Trihydroxypalmitic acid, AIDS014676, AIDS-014676, CID10790

Molecular Formula:	C₁₆H₃₂O₅	Molecular Weight:	304.422280 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: MEHUJCGAYMDLEL-UHFFFAOYSA-N

• Alisol Acetate B

IUPAC Name: [1-(3,3-dimethyloxiran-2-yl)-3-[(8S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate | CAS Registry Number: 26575-95-1
Synonyms: Alisol B 23-acetate, 23-O-Acetylalisol B, Alisol B 23-monoacetate, CID3084460, 26622-13-9, 8alpha,9beta,14beta-Dammar-13(17)-en-3-one, 24,25-epoxy-11beta,23-dihydroxy-, 23-acetate, (23S,24R)-, Dammar-13(17)-en-3-one, 23-(acetyloxy)-24,25-epoxy-11-hydroxy-, (8alpha,9beta,11beta,14beta,23S,24R)-

Molecular Formula:	C₃₂H₅₀O₅	Molecular Weight:	514.736400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: NLOAQXKIIGTTRE-CXWFPJGHSA-N

• Alisol B

IUPAC Name: (8S,9S,10S,11S,14R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 18649-93-9
Synonyms: CID189051

Molecular Formula:	C₃₀H₄₈O₄	Molecular Weight:	472.699720 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: GBJKHDVRXAVITG-DXYWBWDESA-N

• Allantoin

IUPAC Name: (2,5-dioxoimidazolidin-4-yl)urea | CAS Registry Number: 97-59-6
Synonyms: allantoin, Glyoxyldiureide, Cordianine, 5-Ureidohydantoin, Glyoxyldiureid, Allantol, Alantan, Sebical, Cutemol emollient, Uniderm A, AVC/Dienestrolcream, Ureidohydantoin, Hemocane, Psoralon, Septalan, Paxyl, Hydantoin, 5-ureido-, DL-Allantoin, Caswell No. 024, Glyoxylic diureide

Molecular Formula:	C₄H₆N₄O₃	Molecular Weight:	158.115440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: POJWUDADGALRAB-UHFFFAOYSA-N

• Alliin

IUPAC Name: (2R)-2-amino-3-prop-2-enylsulfinylpropanoic acid | CAS Registry Number: 556-27-4
Synonyms: SPECTRUM1505190, 3-(Allylsulphinyl)-L-alanine, CID87310, EINECS 241-773-6, C08265, 17795-26-5

Molecular Formula:	C₆H₁₁NO₃S	Molecular Weight:	177.221440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XUHLIQGRKRUKPH-ITZCMCNPSA-N

• Allitridum

IUPAC Name: 3-prop-2-enylsulfinylsulfanylprop-1-ene | CAS Registry Number: 539-86-6
Synonyms: Allicin, Diallyl thiosulfinate, allimin, allylthiosulfinate, Diallyldisulfid-S-oxid, DADSO, diallyl disulfide-oxide, S-Allyl acrylo-1-sulphinothioate, Allylthiosulphinic acid allyl ester, C6H10OS2, CCRIS 9053, CID65036, CHEBI:28411, EINECS 208-727-7, Thio-2-propene-1-sulfinic acid S-allyl ester, AIDS097132, AIDS-097132, CPD-9275, S-allyl 2-propene-1-sulfinothioate, BRN 1752823

Molecular Formula:	C₆H₁₀OS₂	Molecular Weight:	162.273000 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: JDLKFOPOAOFWQN-UHFFFAOYSA-N

• Allo-Purinol

IUPAC Name: 1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one | CAS Registry Number: 315-30-0
Synonyms: allopurinol, Zyloprim, Lopurin, Zyloric, Uripurinol, Atisuril, Bleminol, Embarin, Foligan, Milurit, Progout, Urosin, Anoprolin, Cellidrin, Epidropal, Suspendol, Alositol, Apulonga, Bloxanth, Caplenal

Molecular Formula:	C₅H₄N₄O	Molecular Weight:	136.111460 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OFCNXPDARWKPPY-UHFFFAOYSA-N

• Allopregnandiol

IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 516-53-0
Synonyms: Allopregnane-3beta,20beta-diol, EINECS 208-223-7, ZINC04081539, (20R)-5alpha-Pregnane-3beta,20-diol

Molecular Formula:	C₂₁H₃₆O₂	Molecular Weight:	320.509340 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YWYQTGBBEZQBGO-XFHAOOBSSA-N

• allopregnandione

IUPAC Name: (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 566-65-4
Synonyms: 3,20-Allopregnanedione, 5alpha-Dihydroprogesterone, 5-alpha-Dihydroprogesterone, 3,20-Dioxo-5alpha-pregnane, 5alpha-Pregnane-3,20-dione, 5beta-Pregnane-3,20-dione, 5-alpha-Pregnane-3,20-dione, 5.alpha.-Dihydroprogesterone, 5.beta.-Pregnane-3,20-dione, 3,20-Dioxo-5.alpha.-pregnane, 5.alpha.-Pregnane-3,20-dione, CHEBI:28952, EINECS 209-297-3, NSC 18319, NSC18319, BRN 2058506, Pregnane-3,20-dione, (5alpha)-, Pregnane-3,20-dione, (5-alpha)-, 5alpha-Pregnane-3,20-dione (8CI), Pregnane-3,20-dione, (5.alpha.)-

Molecular Formula:	C₂₁H₃₂O₂	Molecular Weight:	316.477580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XMRPGKVKISIQBV-BJMCWZGWSA-N

• Allopregnanolone

IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone | CAS Registry Number: 516-55-2
Synonyms: Isopregnanolone, 3-beta-Allopregnanolone, 5-alpha-Dihydropregnenolone, Allopregnan-3beta-ol-20-one, 5alpha-Pregnan-3beta-ol-20-one, CHEBI:11909, EINECS 208-224-2, NSC 97078, 3beta-hydroxy-5alpha-pregnane-20-one, C21H34O2, 3-beta-Hydroxy-5-alpha-pregnan-20-one, 3beta-Hydroxy-5alpha-pregnan-20-one, Pregnanolone, (3beta, 5alpha)-isomer, 3beta-Hydroxy-5alpha-tetrahydroprogesterone, 5-alpha-Pregnan-20-one, 3-beta-hydroxy-, 5alpha-Pregnan-20-one, 3beta-hydroxy-, (3beta,5alpha)-3-hydroxypregnan-20-one, U 0949, LS-118574, C15484

Molecular Formula:	C₂₁H₃₄O₂	Molecular Weight:	318.493460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AURFZBICLPNKBZ-FZCSVUEKSA-N

• Allyl Isothiocyanate

IUPAC Name: 3-isothiocyanatoprop-1-ene | CAS Registry Number: 57-06-7
Synonyms: Allylsenevol, ALLYL ISOTHIOCYANATE, Allylsevenolum, Allylsenfoel, Redskin, Senfoel, Oil Of mustard, Oleum sinapis, Allyspol, Carbospol, Allyl sevenolum, Allyl mustard oil, AITC, Volatile mustard oil, Allyl isosulfocyanate, Senf oel, Synthetic mustard oil, Oils, mustard, Allyspol 75EC, Allyl thioisocyanate

Molecular Formula:	C₄H₅NS	Molecular Weight:	99.154200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZOJBYZNEUISWFT-UHFFFAOYSA-N

• Allyl methyl sulfide

IUPAC Name: 3-methylsulfanylprop-1-ene | CAS Registry Number: 10152-76-8
Synonyms: Allyl methyl sulphide, Sulfide, allyl methyl, Methyl allyl sulfide, methyl propenyl sulfide, 1-Propene, 3-(methylthio)-, 3-methylthio-1-propene, CCRIS 7066, NCIOpen2_003675, A34201_ALDRICH, EINECS 233-422-0, ZINC02015871, LS-123487, C077207

Molecular Formula:	C₄H₈S	Molecular Weight:	88.171320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NVLPQIPTCCLBEU-UHFFFAOYSA-N

• Allyl Sulphide

IUPAC Name: 3-prop-2-enylsulfanylprop-1-ene | CAS Registry Number: 592-88-1
Synonyms: Allyl sulfide, Allyl monosulfide, Thioallyl ether, DIALLYL SULFIDE, diallylsulfide, Garlic oil, Oil garlic, Diallyl thioether, Diallyl sulphide, Diallyl monosulfide, Allium sativum, Oil of garlic, Diallyl thioather, Oils, garlic, Dially monosulfide, 2-Propenyl sulphide, Allium sativum oil, 1-Propene, 3,3'-thiobis-, Essential oil of garlic, 3,3-Thiobis(1-propene)

Molecular Formula:	C₆H₁₀S	Molecular Weight:	114.208600 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: UBJVUCKUDDKUJF-UHFFFAOYSA-N

• Aloe-emodine

IUPAC Name: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione | CAS Registry Number: 481-72-1
Synonyms: Aloe-emodin, Aloe emodin, Rhabarberone, emodin, Aloeemodin, aloe emodine, EMODINE, 3-Hydroxymethylchrysazin, Ambap3320, 3-Hydroxymethylchrysazine, CCRIS 3526, MLS000697563, A7687_SIGMA, NSC 38628, NSC38628, EINECS 207-571-7, AIDS048396, 1,8-Dihydroxy-3-hydroxymethylanthraquinone, AIDS-048396, C15H10O5

Molecular Formula:	C₁₅H₁₀O₅	Molecular Weight:	270.236900 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N

• Aloin

IUPAC Name: (10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one | CAS Registry Number: 1415-73-2
Synonyms: aloin, Barbaloin, Aloinum, Aloin A, Aloin [BAN], EINECS 215-808-0, NSC 227189, NSC 631263, LS-185038, 10-(1',5'-Anhydroglucosyl)aloe-emodin-9-anthrone, C10305, 10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone,(R)-, 10-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10H)-anthracenone, (R)-10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)anthracen-9(10H)-one, 1,8-Dihydroxy-3-hydroxymethyl-10-(6-hydroxymethyl-3,4,5-trihydroxy-2-pyranyl)anthrone, 10-beta-D-Glucopyranosyl-1,8-dihydroxy-3-hydroxymethyl-9(10H)-anthrone, 10361-17-8, 11019-96-8, 25429-08-7, 31017-11-5

Molecular Formula:	C₂₁H₂₂O₉	Molecular Weight:	418.393980 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: AFHJQYHRLPMKHU-WEZNYRQKSA-N

• Alpha-Amanitin

Synonyms: alpha-amanitin, alpha-Amanitine, alpha-Amatoxin, Amanitin, .alpha.-Amanitin, alpha-Amanitin, Amanita sp., CBiol_001932, HSDB 3458, A2263_SIGMA, BCBcMAP01_000054, EINECS 245-432-2, CID2100, AIDS004473, Bio1_000218, Bio1_000707, Bio1_001196, AIDS-004473, BRN 1071138, SMP1_000013, LS-16533

Molecular Formula:	C₃₉H₅₄N₁₀O₁₄S	Molecular Weight:	918.969660 [g/mol]
H-Bond Donor:	13	H-Bond Acceptor:	14

InChIKey: CIORWBWIBBPXCG-UHFFFAOYSA-N

• alpha-Amyrin

IUPAC Name: (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol | CAS Registry Number: 638-95-9
Synonyms: Viminalol, alpha-Amyrenol, alpha-Amyrine, .alpha.-Amyrin, .alpha.-Amyrenol, Urs-12-en-3beta-ol, 53017_FLUKA, (3.beta.)-Urs-12-en-3-ol, AIDS070313, AIDS-070313, CID73170, CPD-8250, EINECS 211-352-1, LMPR01060011, NSC 114787, Urs-12-en-3-ol, (3beta)- (9CI), ST5411384, C08615, (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol

Molecular Formula:	C₃₀H₅₀O	Molecular Weight:	426.717400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: FSLPMRQHCOLESF-SFMCKYFRSA-N

• alpha-Boswellic acid

IUPAC Name: (6aR,6bS,8aR,12aR)-3-hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid | CAS Registry Number: 471-66-9

Molecular Formula:	C₃₀H₄₈O₃	Molecular Weight:	456.700320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BZXULBWGROURAF-SLLOXPBESA-N

• Alpinetin

IUPAC Name: (2S)-7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one | CAS Registry Number: 36052-37-6
Synonyms: (-)-alpinetin, CHEBI:518574, AIDS354121, AIDS-354121, CID154279, ZINC00338037, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-5-methoxy-2-phenyl-, (2S)-, (2S)-7-Hydroxy-5-methoxy-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one

Molecular Formula:	C₁₆H₁₄O₄	Molecular Weight:	270.279960 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: QQQCWVDPMPFUGF-ZDUSSCGKSA-N

• Alyssin

IUPAC Name: 1-isothiocyanato-5-methylsulfinylpentane | CAS Registry Number: 646-23-1
Synonyms: Ambap2371, CID206035, 1-Isothiocyanato-5-(methylsulfinyl)pentane, Pentane, 1-isothiocyanato-5-(methylsulfinyl)-

Molecular Formula:	C₇H₁₃NOS₂	Molecular Weight:	191.314220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IUUQPVQTAUKPPB-UHFFFAOYSA-N

• Amaranth (C.I. No. 16185)

IUPAC Name: trisodium (4E)-3-oxo-4-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-2,7-disulfonate | CAS Registry Number: 915-67-3
Synonyms: Amaranthe, Lissamine, Amacid Amaranth, Amaranth red, Edicol Amaranth, Kayaku Amaranth, Rakuto Amaranth, Aizen Amaranth, Amaranth Extra, Maple Amaranth, Acid Amaranth, Amaranth Lake, Cranberry Red, Java Amaranth, Toyo Amaranth, Azorubine S, Dolkwal Amaranth, Hidacid Amaranth, Shikiso Amaranth, Takaoka Amaranth

Molecular Formula:	C₂₀H₁₁N₂Na₃O₁₀S₃	Molecular Weight:	604.473050 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	12

InChIKey: VOBHRQFELWTZFS-DXVNCNPQSA-K