Exact Mass: 316.1785

A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings).

3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Bisphenol A bis(2-hydroxyethyl)ether

2-(4-{2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl}phenoxy)ethan-1-ol

1-Dehydro-15alpha-hydroxytestololactone

4-hydroxy-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2h-naphtho[2,1-f]chromene-2,8(4bh)-dione

11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone

Capillartemisin A

Imipramine hydrochloride

C19H25ClN2 (316.1706)

D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators

Capillartemisin B

(E)-3-[4-hydroxy-3-[(Z)-4-hydroxy-3-methyl-but-2-enyl]-5-(3-methylbut- 2-enyl)phenyl]prop-2-enoic acid

Perilloside C

2-(hydroxymethyl)-6-{[4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-triol

Perilloside D is found in fats and oils. Perilloside D is a constituent of Perilla frutescens (perilla). Constituent of Perilla frutescens (perilla). Perilloside C is found in fats and oils.

(S)-alpha-Terpinyl glucoside

2-(hydroxymethyl)-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxane-3,4,5-triol

Constituent of Citrus species and wine grapes (Vitis vinifera). (R)-alpha-Terpinyl glucoside is found in alcoholic beverages, citrus, and fruits. (S)-alpha-Terpinyl glucoside is found in alcoholic beverages. (S)-alpha-Terpinyl glucoside is a constituent of wine grapes (Vitis vinifera)

Neryl glucoside

2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Isolated from Rosa subspecies, rose geranium (Pelargonium graveolens) and grapes. Neryl glucoside is found in many foods, some of which are common grape, fruits, tea, and fats and oils. Neryl glucoside is found in fats and oils. Neryl glucoside is isolated from Rosa species, rose geranium (Pelargonium graveolens) and grape

Isopulegone caffeate

[4-(Prop-1-en-2-yl)cyclohexyl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Isopulegone caffeate is found in fats and oils. Isopulegone caffeate is a constituent of Perilla frutescens var. crispa

D-Linalool 3-glucoside

2-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

D-Linalool 3-glucoside is found in herbs and spices. D-Linalool 3-glucoside is an aroma precursor of linalool from the flower buds of Arabian jasmine (Jasminum sambac Constituent of wine grape (Vitis vinifera). L-Linalool 3-glucoside is found in many foods, some of which are tea, common grape, fruits, and alcoholic beverages.

Menthol-glucoronide

(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-methyl-2-(propan-2-yl)cyclohexyl]oxane-2-carboxylic acid

Menthol-glucuronide is a metabolite of menthol in urine. Menthol is extensively metabolized such that excretion in the urine is predominantly menthol glucuronide. Urine menthol is a Biomarker of mentholated cigarette Smoking, as detected in methol cigarette smokers. (PMID: 20962297)

2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-

estradiol alone

5,14-dihydroxy-15-methyl-4-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),5-diene-3-carbaldehyde

Navoximod

4-(2-{6-fluoro-5H-imidazo[4,3-a]isoindol-5-yl}-1-hydroxyethyl)cyclohexan-1-ol

Pipequaline

2-phenyl-4-[2-(piperidin-4-yl)ethyl]quinoline

Porphyrinogen

21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(20),3,5,8,10,13,15,18-octaene

C20H20N4 (316.1688)

Gibberellin A9

11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

Gibberellin a9 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a9 can be found in a number of food items such as black mulberry, saffron, pear, and winter squash, which makes gibberellin a9 a potential biomarker for the consumption of these food products.

Dasyclamide

adenostylone

Zaluzanin C isobutyrate

(+)-Zaluzanin C isobutyrate

Neoselaginellic acid

(-)-Neoselaginellic acid

Chaetopyranin

A chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines.

[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid

Nagilactone F

A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).

Eurotirumin

1,8-Dihydroxy-4-methyl-7-(3-methyl-2-butenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromene-9-carbaldehyde

Isoadenostylone

Ethuliaconyzophenone

ACRONYCULATIN E

4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)benzene-1,2,3-triol

6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one

Isophorene

C14H28N4S2 (316.1755)

Antrocinnamomin D

Pandamarilactone 3

Hannokinol

(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol is a natural product found in Alpinia blepharocalyx, Alpinia roxburghii, and Centrolobium sclerophyllum with data available.

6-[(3E,5E,7S)-5,7-Dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methylbenzaldehyde

SCHEMBL4639890

GNF-Pf-4539

PINOXADEN DIONE

14(??-Methyl butyryl)-2E,8E,10E-atractylentriol

methyl-3-(3,3-dimethylallyl)-4-isobutyryloxy-cinnamate|methyl-3-<3,3-dimethylallyl>-4-isobutyryloxy-cinnamate

Odorinol

(6R)-6-[(1E,4R,6R)-4,5-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydro-2H-pyran-2-one|6R-(4R,6R-dihydroxy-8-phenyloct-1-enyl)-5,6-dihydro-2-pyrone|strictifolione

(1S,3R,5S,7S)-1,7-diphenylheptan-1,3,5,7-tetraol|diospongin C

7alpha,12beta-dihydroxy-1,4-androstadiene-3,17-dione

SCHEMBL18285081

2,2-Dimethyl-5-methoxy-6-(3-methyl-2-butenyl)-8-acetyl-2H-1-benzopyran-7-ol

4-methoxy-3-(3-methyl-4-angelyoxy-but-2-en-1-yl)-acetophenone|4-methoxy-3-<3-methyl-4-angelyoxy-but-2-en-1-yl>-acetophenone

(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-8-prenyl-2H-1-benzopyran-6-yl)-2-propenoic acid

Euryopsonol-2-methylacrylat

Di-Ac-(Z)-1,9-Pentadecadiene-4,6-diyne-3,8-diol

13-acetyl-12-hydroxypodocarpa-9(11),8(14),12-trien-15-oic acid

C19H24O4

clerodermic acid

3,3-Dimethoxy-5-ethyl-5-propylbiphenyl-2,2-diol

julocrotine

A natural product found in Julocroton montevidensis and Croton pullei var. glabrior.

11,12,16-Trihydroxy-20-nor-abieta-5(10),8,11,13-tetraen-1-one|15R-11,12,16-Trihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one

9alpha,11alpha,20-Trihydroxy-15-oxo-2,3,4,5-tetra-nor-prostansaeure

Elliptinol

1,2-Dihydro-Perrottetin B|Perrottetin C

ethuliconyzone

Fujenal

(3S,4E,6E,12E)-1-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol

(3S,5R)-3,5-dimethyl-3,5-peroxytetradecanedioic acid|epiplakinidioic acid

(4E,6E,12E)-3-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol

Methyl nimbionone

DTXSID10958109

6,13-diacetoxy-pentadeca-1,7t-diene-9,11-diyne|Di-Ac-(E)-8,14-Pentadecadiene-4,6-diyne-3,10-diol

Artepillin A

SCHEMBL3160

14-propioyloxycacalohastin

Ferutinin

2,3-Epoxide,1-Ac-(8E,15Z)-2,9,16-Heptadecatriene-4,6-diyne-1,11-diol

fersin

17-nor-15-oxo-8,11,13-abietatrien-7alpha-hydroxy-18-oic acid|abiesanordine K

NSC317302

haplonolide

9-trans-p-coumaroyloxy-alpha-terpineol

(Z)-12-keto-7,8,9-trihydroxy-10-hexadecenoic acid

Didemnidine A

A natural product found in Didemnum species.

(3S)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-ol|4-[(5S)-5-hydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol

oopodin

isocaproylbitalin A

6-(2-Methylpropanoyl)-(4beta,6beta)-4,15-Epoxyfuranoeremophil-1(10)-en-6-ol

Ferujol

(E)-6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-5-methoxyisobenzofuran-1(3H)-one|hericenone J

lettowipyraquinol|methyl [6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-2H-chromen-8-yl]acetate

2-Methoxy-4-[2-(2-hydroxy-3-methoxy-5-propylphenyl)ethyl]phenol

2-Methylpropanoyl-Chrysostomalide

2,3,10,11-tetrahydropyrenophorol

thujylalcohol-(beta-D-glucopyranoside)|thujylalcohol-

(-)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihedroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol

Ferungin|ferutinin

C16H28O6

14-Nor-7,15-dioxo-12-tiglyloxytrix-4-ene

(S)-artemisia alcohol 4-O-beta-D-glucopyranoside|artemisioside

(E)-3-<2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7-prenyl-benzofuran-5-yl>-2-propenoic acid

1-Angeloyl-(1alpha,7beta)-1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid

Carnosol

13-hydroxy-15-oxozoapatlin

6-<1-(Angeloyloxy)ethyl>-7-methoxy-2,2-dimethyl-2H-chromen|6-[1-(Angeloyloxy)ethyl]-7-methoxy-2,2-dimethyl-2H-chromen|Angeloyl-Encecalinol|encecalol angelate

(S)-Franklinol

(alphaE)-3-(10-Hydroxygeranyl)-p-coumaric acid

Detoxin A1

((1S)-Bornyl)-beta-D-glucopyranosid|((1S)-bornyl)-beta-D-glucopyranoside|(-)-borneol 2-O-beta-D-glucopyranoside|(1S,2R,4S)-borneol beta-D-glucopyranoside|borneol glucoside|Borneol-2-O-??-D-glucopyranoside|bornyl beta-D-glucopyranosyl|l-borneol O-beta-D-glucopyranoside

HYPERGUINONE A

Asn Gly Leu

Gln Gly Ile

Val Ala Gln

Gln Val Ala

AG-879

Tyrphostin AG 879

C18H24N2OS (316.1609)

Gly Asn Leu

CP 80633

5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-methoxyphenyl]tetrahydro-2-(1H)-pyrimidinone

Gln Ala Val

Gln Ile Gly

Ala Ile Asn

Ala Gln Val

alanylalanylarginine

Gly Leu Asn

Asn Ile Ala

Gly Gln Ile

Ile Ala Asn

Gly Ile Gln

Ala Val Gln

Val Gln Ala

Asn Ala Ile

Asn Leu Gly

Ile Gln Gly

Ala Asn Ile

Ala Arg Ala

odorine

Butanamide, 2-hydroxy-2-methyl-N-[1-(1-oxo-3-phenyl-2-propenyl)-2-pyrrolidinyl]-, [S-[R*,S*-(E)]]-; (2S)-2-Hydroxy-2-methyl-N-[(2R)-1-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-2-pyrrolidinyl]butanamide

Odorinol is a natural product found in Aglaia laxiflora, Aglaia elaeagnoidea, and Aglaia odorata with data available.

1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

NCGC00380746-01!1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

NCGC00384965-01!4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one

NCGC00381270-01!(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one

C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl

NCGC00169089-04_C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl-

C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione

NCGC00380965-01_C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione

1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

Sodium tetradecyl sulfate

C14H29NaO4S (316.1684)

C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions D013501 - Surface-Active Agents D002317 - Cardiovascular Agents

heminordihydroguaiaretic acid

MMV085230

Pinoxaden-TP NOA 407854

8-(2,6-Diethyl-4-methylphenyl)tetrahydropyrazolo(1,2-d)(1,4,5)oxadiazepine-7,9-dione

CONFIDENCE standard compound; UCHEM_ID 4178

1,7-bis(4-hydroxyphenyl)heptane-3,5-diol_major

heminordihydroguaiaretic acid_major

Ala Ala Gly Val

(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]acetamido}-3-methylbutanoic acid

Ala Ala Val Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]acetic acid

Ala Gly Ala Val

(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}propanamido]-3-methylbutanoic acid

Ala Gly Gly Ile

(2S,3S)-2-(2-{2-[(2S)-2-aminopropanamido]acetamido}acetamido)-3-methylpentanoic acid

Ala Gly Gly Leu

(2S)-2-(2-{2-[(2S)-2-aminopropanamido]acetamido}acetamido)-4-methylpentanoic acid

Ala Gly Ile Gly

2-[(2S,3S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylpentanamido]acetic acid

Ala Gly Leu Gly

2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-4-methylpentanamido]acetic acid

Ala Gly Val Ala

(2S)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-methylbutanamido]propanoic acid

Ala Ile Gly Gly

2-{2-[(2S,3S)-2-[(2S)-2-aminopropanamido]-3-methylpentanamido]acetamido}acetic acid

Ala Leu Gly Gly

2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]acetamido}acetic acid

Ala Val Ala Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]propanamido]acetic acid

Ala Val Gly Ala

(2S)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanamido]acetamido}propanoic acid

Gly Ala Ala Val

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]propanamido]-3-methylbutanoic acid

Gly Ala Gly Ile

(2S,3S)-2-{2-[(2S)-2-(2-aminoacetamido)propanamido]acetamido}-3-methylpentanoic acid

Gly Ala Gly Leu

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)propanamido]acetamido}-4-methylpentanoic acid

Gly Ala Ile Gly

2-[(2S,3S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylpentanamido]acetic acid

Gly Ala Leu Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-4-methylpentanamido]acetic acid

Gly Ala Val Ala

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-methylbutanamido]propanoic acid

Gly Gly Ala Ile

(2S,3S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]propanamido]-3-methylpentanoic acid

Gly Gly Ala Leu

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]propanamido]-4-methylpentanoic acid

Gly Gly Ile Ala

(2S)-2-[(2S,3S)-2-[2-(2-aminoacetamido)acetamido]-3-methylpentanamido]propanoic acid

Gly Gly Leu Ala

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-4-methylpentanamido]propanoic acid

Gly Ile Ala Gly

2-[(2S)-2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]propanamido]acetic acid

Gly Ile Gly Ala

(2S)-2-{2-[(2S,3S)-2-(2-aminoacetamido)-3-methylpentanamido]acetamido}propanoic acid

Gly Leu Ala Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]propanamido]acetic acid

Gly Leu Gly Ala

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-4-methylpentanamido]acetamido}propanoic acid

Gly Val Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]propanamido]propanoic acid

Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-

Asn Leu Ala

Ile Ala Gly Gly

2-{2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]acetamido}acetic acid

Ile Gly Ala Gly

2-[(2S)-2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}propanamido]acetic acid

Ile Gly Gly Ala

(2S)-2-(2-{2-[(2S,3S)-2-amino-3-methylpentanamido]acetamido}acetamido)propanoic acid

Ile Gly Gln

Gln Leu Gly

Leu Asn Ala

Leu Ala Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]propanamido]acetamido}acetic acid

Leu Gly Ala Gly

2-[(2S)-2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}propanamido]acetic acid

Leu Gly Gly Ala

(2S)-2-(2-{2-[(2S)-2-amino-4-methylpentanamido]acetamido}acetamido)propanoic acid

Leu Gln Gly

Ala Asn Leu

Ala Leu Asn

Arg Ala Ala

Gly Leu Gln

Ile Asn Ala

Leu Ala Asn

Gln Gly Leu

Leu Gly Gln

Asn Ala Leu

Ala Ala Arg

Gly Gln Leu

Val Ala Ala Gly

2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]propanamido]acetic acid

Val Ala Gly Ala

(2S)-2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanamido]acetamido}propanoic acid

Val Gly Ala Ala

(2S)-2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}propanamido]propanoic acid

Neryl glucoside

2-{[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Isopulegone caffeate

[4-(prop-1-en-2-yl)cyclohexyl]methyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(S)-alpha-Terpinyl glucoside

2-(hydroxymethyl)-6-{[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]oxy}oxane-3,4,5-triol

D-Linalool 3-glucoside

2-[(3,7-dimethylocta-1,6-dien-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Perilloside C

2-(hydroxymethyl)-6-{[4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-triol

FOH 16:3;O5

(5R)-4-(2-carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-D-erythro-pentopyranose

ascr#15

9R-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-2E-decenoic acid

An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,9R)-9-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.

oscr#15

10-(3R,5R-dihydroxy-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-2E-decenoic acid

An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-10-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.

ST 19:4;O4

3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

2-Methyl-2-propanyl 5-methyl-2-oxo-1,2-dihydro-1H-spiro[indole-3 ,4-piperidine]-1-carboxylate

N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE

C17H25BN2O3 (316.1958)

benzyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate

Etanterol

Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate

piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C17H25BN2O3 (316.1958)

6-AMINO-3-PYRROLIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

2-(TERT-BUTYL)-7-(4-METHYLPIPERAZIN-1-YL)-4-NITRO-1H-INDOLE

amitriptyline-d3 hcl (n-methyl-d3)

C20H21ClD3N (316.1785)

Amitriptyline-d3 hydrochloride is the deuterium labeled Amitriptyline (hydrochloride). Amitriptyline hydrochloride is an inhibitor of serotonin reuptake transporter (SERT) and noradrenaline reuptake transporter (NET), with Kis of 3.45 nM and 13.3 nM for human SERT and NET, respectively. Amitriptyline hydrochloride also weakly binds to dopamine reuptake transporter (DAT) with a Ki of 2.58 μM. Amitriptyline hydrochloride also inhibits adrenergic, muscarinic, histamine and 5-HT receptors. Amitriptyline hydrochloride is a TrkA and TrkB receptors agonist with potent neurotrophic activity. Amitriptyline hydrochloride has antidepressant activity[1][2][3].

4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carbaldehyde

C17H25BN2O3 (316.1958)

Sotradecol

Sodium tetradecyl sulfate

C14H29NaO4S (316.1684)

D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions C78275 - Agent Affecting Blood or Body Fluid D013501 - Surface-Active Agents D002317 - Cardiovascular Agents

TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE

2,6-bis(1-phenylethyl)-p-cresol

C23H24O (316.1827)

Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

Azepino[4,5-b]indole-5-carboxylic acid, 9-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester

tert-butyl 4-(1-oxo-2,3-dihydroinden-5-yl)piperazine-1-carboxylate

(2H14)Benzo[rst]pentaphene

C24D14 (316.1974)

tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate

2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate

C19H16D4O4 (316.1613)

2-Methyl-2-propanyl 6-benzyl-5-oxo-1,6-diazaspiro[3.4]octane-1-ca rboxylate

Suloxifen

C18H24N2OS (316.1609)

Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate

C16H21BN2O4 (316.1594)

1-cycloheptyl-4,5-diphenylimidazole

3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-ethyl-1H-indole

1,4-Benzenedimethanamine,N1,N4-bis(phenylmethyl)-

Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[ 2,3-b]pyridine-2-carboxylate

C16H21BN2O4 (316.1594)

2-amino-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol

Androst-4-en-19-oicacid, 3,17-dioxo-

Pipequaline

C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Pipequaline (PK 8165) is a partial benzodiazepine receptor agonist with anxiolytic activity[1][2].

tert-butyl 3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-methyl- (9CI)

C17H24N4S (316.1722)

tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate

C15H20N6O2

Saxagliptin Impurity 14

Navoximod

C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent

N-Boc-N-[(Allyloxy)carbonyl]-L-ornithine

Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

C18H25BO4 (316.1846)

Ethoxylated bisphenol A

(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-9-methyldec-4-enoic acid

1-N-BOC-4-CYANO-4-(2-METHOXYPHENYL)PIPERIDINE

1-BOC-2-OXO-2,4-DIHYDRO-1H-SPIRO[PIPERIDINE-3,3-QUINOLINE]

(1S,3S)-Methyl 1-isobutyl-7-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Amquinate

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent

16-Hydroxy-19-oxo-4-androsten-3,17-dione

D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones

5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-

Atizoram

C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor

(2E)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid

(2E,9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid

8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one

2-ethyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]butanamide

Leu-Gln-Gly

11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone

11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone

1-Butanoyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide

4-[4-(4-Hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]pyrocatechol

6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4-piperidine]-1-carboxamide

N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide

2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-

Geranyl b-D-glucoside

Geranyl beta-D-glucopyranoside

(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid

(2S,3S,7R)-2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-7-hydroxyoctanoic acid

3,17-dihydroxy-13-methyl-2-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1-carbaldehyde

[3-carboxy-2-[(E)-7-carboxyhept-6-enoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(E)-7-carboxyhept-4-enoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(E)-7-carboxyhept-5-enoyl]oxypropyl]-trimethylazanium

[3-carboxy-2-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium

6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde

Tyrphostin AG 879

C18H24N2OS (316.1609)

D000970 - Antineoplastic Agents > D020032 - Tyrphostins

Bornyl caffeate

(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol

A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.

(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol

A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.

Tofranil

C19H25ClN2 (316.1706)

D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators

2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol

Ala-Ala-Arg

Gly-Leu-Gln

Arg-Ala-Ala

(+)-(8R,8R)-3,4,4-trihydroxy-3-methoxylignan

A natural product found in Machilus robusta.

1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide

N-[1,3-dimethyl-2-oxo-5-[[oxo(propoxy)methyl]amino]-4-imidazolidinyl]carbamic acid propyl ester

4-[Bis(4-amino-3-methylphenyl)methylidene]cyclohexa-2,5-dien-1-iminium

C21H22N3+ (316.1814)

aculene A cation

C19H26NO3+ (316.1913)

Ala-Asn-Leu

Leu-Ala-Asn

Leu-Asn-Ala

Ala-Arg-Ala

Ala-Leu-Asn

Asn-Ala-Ile

Asn-Leu-Ala

(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one

[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone

6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir

[(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone

[(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone

[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone

Ala-Ile-Asn

Ala-Val-Gln

Gln-Ile-Gly

Gln-Leu-Gly

Gly-Gln-Leu

Ile-Asn-Ala

Ile-Gly-Gln

Ala-Asn-Ile

Ala-Gln-Val

Asn-Ala-Leu

Asn-Ile-Ala

Gln-Ala-Val

Gln-Gly-Ile

Gln-Gly-Leu

Gln-Val-Ala

Gly-Gln-Ile

Gly-Ile-Gln

Ile-Ala-Asn

Ile-Gln-Gly

Leu-Gly-Gln

Val-Ala-Gln

Val-Gln-Ala

O-suberoylcarnitine(1-)

C15H26NO6- (316.176)

A dicarboxylic acid monoanion that is the conjugate base of O-suberoylcarnitine; major spoecies at pH 7.3.

(11R)-19-oxocarlactone

2-[(3S)-1-(1H-Indol-3-ylmethyl)-3-pyrrolidinyl]-1H-benzimidazole

C20H20N4 (316.1688)

[3-carboxy-1-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium

(3Z)-3-[(2E,6E,8E)-1-hydroxy-2,10-dimethyldodeca-2,6,8-trienylidene]-5-methylideneoxolane-2,4-dione

Bisphenol a ethoxylate

2,2-Bis(4-(2-hydroxyethoxy)phenyl)propane

Porphyrinogen

C20H20N4 (316.1688)

Menthol-glucoronide

2,3,4,5-tetranor-thromboxane B1

A monocarboxylic acid that is thromboxane B1 which is lacking four methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.

aculene A(1+)

C19H26NO3 (316.1913)

A secondary ammonium ion that is the conjugate acid of aculene A, arising from the protonation of the pyrrolidine nitrogen. Major species at pH 7.3.

NA-Trp 7:0

FAHFA 10:3/O-9:3

FAHFA 9:3/O-10:3

Dihydroxysecoandrostatrienedione

6-hydroxy-2-(3-hydroxybut-1-en-1-yl)-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-5-carbaldehyde

6-(5,7-dimethyl-2-oxonona-3,5-dien-1-yl)-2,4-dihydroxy-3-methylbenzaldehyde

(2s)-2-hydroxy-2-methyl-n-[(2r)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]butanimidic acid

(1s,2r,3s,5s,6s)-2-(hydroxymethyl)-3-[(2s)-2-hydroxypropyl]-8-azaspiro[bicyclo[3.2.1]octane-6,3'-indol]-2'-ol

6-(3,7-dimethylocta-2,6-dien-1-yl)-7-hydroxy-5-methoxy-3h-2-benzofuran-1-one

5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione

(1r,4as,10ar)-7-acetyl-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

2-{[(3s)-3-ethenyl-2,5-dimethylhex-4-en-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(6r)-6-[(1e,4r,6r)-4,6-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydropyran-2-one

(2e)-3-[(2s)-2-[(2s)-1-hydroxypropan-2-yl]-7-(3-methylbut-2-en-1-yl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid

(3as,6ar,8s,9ar,9bs)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl 2-methylpropanoate

(3s)-1-[(2r)-3,3-dimethyloxiran-2-yl]-3-ethenyl-5-(2-hydroxy-6-methylphenyl)-3-methylpentane-1,5-dione

6-benzyl-1,4-dimethyl-3-(2-methylpropyl)-1,4-diazepane-2,5,7-trione

(2e)-3-{4-hydroxy-3-[(2z)-4-hydroxy-3-(4-methylpent-3-en-1-yl)but-2-en-1-yl]phenyl}prop-2-enoic acid

(5s,8r,13s,16r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadecane-2,10-dione

(2r,3r,4s,5s,6r)-2-{[(3s)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

4-hydroxy-n-{4-[(1-hydroxy-3-phenylprop-2-en-1-ylidene)amino]butyl}-2-methylbut-2-enimidic acid

5,6-dihydroxy-7-(1-hydroxypropan-2-yl)-1,1-dimethyl-2,3,9,10-tetrahydrophenanthren-4-one

(2r)-6-hydroxy-2-[(1r)-1-hydroxybut-2-en-1-yl]-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran-5-carbaldehyde

(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1s,4s)-4-(prop-1-en-2-yl)cyclohexyl]methoxy}oxane-3,4,5-triol

1-[7-hydroxy-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)chromen-8-yl]ethanone

(1s,2r,5r,8s,9r,12s,13s,17r)-12-hydroxy-13-methyl-4-methylidene-15-oxapentacyclo[7.7.1.1²,⁵.0²,⁸.0¹³,¹⁷]octadecane-14,16-dione

5'-(furan-3-yl)-2,5-dimethyl-octahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione

3-(3,5-dimethylhepta-1,3-dien-1-yl)-7-methyl-1h-isochromene-1,6,8-triol

(3r,5s)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol

(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-({2-[(1r)-4-methylcyclohex-3-en-1-yl]propan-2-yl}oxy)oxane-3,4,5-triol

(1s,8r,11s,12s,15s)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-11-yl 2-methylprop-2-enoate

[(1r,4r)-4-(prop-1-en-2-yl)cyclohexyl]methyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate

(5s)-5-hydroxy-3-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-4-(2-methylpropyl)-5h-furan-2-one

4-ethoxy-6-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)-2-oxopyran-3-carbaldehyde

(1s)-1-{5-methoxy-2,2,8,8-tetramethylpyrano[3,2-g]chromen-10-yl}ethanol

(4s,4ar,5s)-3,4a,5-trimethyl-9-oxo-4h,5h,6h,7h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate

(1s,9r,10s,12s,13r)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-12-yl 2-methylprop-2-enoate

(3s,4 e,6 e,12e)-1-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol

{"Ingredient_id": "HBIN009634","Ingredient_name": "(3s,4 e,6 e,12e)-1-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11761","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(3s,5s)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane

{"Ingredient_id": "HBIN009666","Ingredient_name": "(3s,5s)-3,5-dihydroxy-1,7-bis(4-hydroxyphenyl)heptane","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "C1=CC(=CC=C1CCC(CC(CCC2=CC=C(C=C2)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5779","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol

{"Ingredient_id": "HBIN010338","Ingredient_name": "(4 e,6 e,12e)-3-isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OC(CCO)C=CC=CC#CC#CC=CCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "11760","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

Artepillin A

artepillin a

{"Ingredient_id": "HBIN016972","Ingredient_name": "Artepillin A","Alias": "artepillin a","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(CO)C1CC2=C(O1)C(=CC(=C2)C=CC(=O)O)CC=C(C)C","Ingredient_weight": "316.4 g/mol","OB_score": "68.31719082","CAS_id": "NA","SymMap_id": "SMIT09381","TCMID_id": "1807","TCMSP_id": "MOL008047","TCM_ID_id": "6605","PubChem_id": "21626500","DrugBank_id": "NA"}

Atractyloyne

{"Ingredient_id": "HBIN017311","Ingredient_name": "Atractyloyne","Alias": "NA","Ingredient_formula": "C19H24O4","Ingredient_Smile": "CC(C)CC(=O)OCCC(C=CC=CC#CC#CC=CCO)O","Ingredient_weight": "316.4 g/mol","OB_score": "5.201145462","CAS_id": "NA","SymMap_id": "SMIT02831","TCMID_id": "NA","TCMSP_id": "MOL000182","TCM_ID_id": "NA","PubChem_id": "11544212","DrugBank_id": "NA"}

(2s,3r,4s,5s,6r)-2-{[(3r)-3,7-dimethylocta-1,6-dien-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(1s,8s,9s,10s,13r)-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-8-yl 2-methylprop-2-enoate

(1's,2s,2'r,7'r,9'r,11'r)-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecane]-3',5'-dien-11'-yl (2z)-but-2-enoate

(2s,3s,6s,7r)-3,12-dihydroxy-7-methyl-11-(3-methylbut-2-en-1-yl)-8-oxatricyclo[7.4.0.0²,⁶]trideca-1(9),10,12-triene-13-carbaldehyde

(1r,2s,5r,8r,9s,10r,11r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadecane-9-carboxylic acid