Exact Mass: 324.239953356
Exact Mass Matches: 324.239953356
Found 470 metabolites which its exact mass value is equals to given mass value 324.239953356
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dihydromonacolin L acid
A polyketide obtained by hydrolysis of the pyranone ring of dihydromonacolin L.
Etonogestrel
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
(13R,14R)-7-Labdene-13,14,15-triol
(13R,14R)-7-Labdene-13,14,15-triol is found in fats and oils. (13R,14R)-7-Labdene-13,14,15-triol is a constituent of Madia sativa (Chile tarweed) Constituent of Madia sativa (Chile tarweed). (13R,14R)-7-Labdene-13,14,15-triol is found in fats and oils.
(Z)-15-Oxo-11-eicosenoic acid
(Z)-15-Oxo-11-eicosenoic acid is found in cereals and cereal products. (Z)-15-Oxo-11-eicosenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-15-Oxo-11-eicosenoic acid is found in cereals and cereal products.
Lactapiperanol D
Lactapiperanol B is found in mushrooms. Lactapiperanol B is a constituent of Lactarius piperatus.
(13R,14R)-8-Labdene-13,14,15-triol
(13R,14R)-8-Labdene-13,14,15-triol is found in fats and oils. (13R,14R)-8-Labdene-13,14,15-triol is a constituent of Madia sativa (Chile tarweed) Constituent of Madia sativa (Chile tarweed). (13R,14R)-8-Labdene-13,14,15-triol is found in fats and oils.
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one
1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is found in avocado. 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is a constituent of avocado (Persea americana) Constituent of avocado (Persea americana). 1-Acetoxy-2-hydroxy-16-heptadecyn-4-one is found in avocado and fruits.
Cibaric acid
Cibaric acid is found in mushrooms. Cibaric acid is isolated from damaged fruit bodies of the edible chanterelle mushroom (Cantharellus cibarius). Isolated from damaged fruit bodies of the edible chanterelle mushroom (Cantharellus cibarius). Cibaric acid is found in mushrooms.
Etonogestrel
Etonogestrel is only found in individuals that have used or taken this drug. It is a molecule used in hormonal contraceptives, most notably the subdermal implant Implanon. [Wikipedia]Etonogestrel binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like etonogestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
1-Methoxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran
11-[3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4-dienoic acid
(R)-2-hydroxy-sterculate|Me ester-(R)-2-Hydroxysterculic acid|methyl (R)-2-hydroxysterculate|Methyl 2-hydroxysterculate
3??-Acetoxy-4??-hydroxy-11(13)-eudesmen-12-oic acid methyl ester
(ent-3alpha,4alpha,5alpha,13xi)-3,4-Epoxy-13,15-clerodanediol|16-hydroxy-3,4beta-epoxy-5beta,10beta-cis-17alpha,20alpha-cleroda-15-ol
2alpha-hydroxy-3alpha,4alpha-epoxy-13,14-dihydrokolavenol
1beta,10beta-epoxy-6beta-(2-semialdehyde acetal hydroxymethylacroyloxy)-8beta-ethoxyeremophil-7(11)-en-12,8alpha-olide
Erythroxytriol P
(1R,2R,4aR,5S,6R,8aR)-decahydro-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,5,6,8a-tetramethylnaphthalene-1,2-diol|(3alpha,4beta,13E)-2-neoclerod-13-ene-3,4,15-triol
Me ester-(9R,10R,11S,12Z,15Z)-9,10-Epoxy-11-hydroxy-12,15-octadecadienoic acid
3-Hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid
6-acetyl-3a-ethyl-Delta6a,8,10-dodecahydro-1,6-diaza-indeno[7,1-cd]fluorene|6-acetyl-3a-ethyl-Delta6a,8,10-dodecahydro-cyclopenta[ij]indolo[2,3-h]isoquinoline|N-Acetyl-aspidospermidin
14,15-Dihydro-(ent-7beta,13xi)-7,13-Dihydroxy-14-cleroden-2-one
Dihydro-5-methoxy-5-methyl-3-(9-tetradecenyl)-2(3H)-furanone
15-chloroxeniaphylla-4,8(19)dien-14-ol
C20H33ClO (324.22197980000004)
2-Dodecyl-5-(2-methoxyethyl)-2-methylfuran-3(2H)-one
methyl (+)-(9R,10E,12Z)-9-methoxyoctadeca-10,12-dienoate
(3R,4S,5S)-4,5-dihydro-4-hydroxy-5-methyl-3-[(1Z)-2-(1-methylethyl)-10-oxoundec-1-en-1-yl]furan-2(3H)-one|litsealactone D
(3E,7E,11E)-(1S)-isopropyl-4,8,12-trimethylcyclotetradeca-3,11-diene-8,13,15-triol
(betaxi,1S,2R,4aR,5S,8aR)-decahydro-5-hydroxy-beta,1,2,4a,5-pentamethylnaphthalene-1-pentanoic acid|4beta-hydroxyclerodan-15-oic acid
(1S,2E,4S,6R,7R,8R)-4,6-dihydroxy-7,8-epoxy-20-nor-2-cembren-12-one
(2S)-1-[2,6-dimethoxy-4-(prop-2-enyl)phenoxy]-3-ethoxy-3-methylbutan-2-ol|lenisin C
(-)-ethyleburnamine|(-)-O-ethyleburnamine|O-ethyl-eburnamine
C20H36O3_1-Naphthalenepentanoic acid, decahydro-2-hydroxy-beta,2,5,5,8a-pentamethyl-, (betaS,1R,2R,8aS)
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol
CA6PE2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); The position of the carboxylic group was assigned arbitrarily; locations of branching points are undetermined; Digitised from figure: approximate intensities
14,15-Epoxysclareol
Origin: Plant; SubCategory_DNP: Diterpenoids, Labdane diterpenoids, Sclareol diterpenoids
N-butyl-N-(1-(cyclohexylamino)-1-oxobutan-2-yl)pentanamide
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid_major
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_84.8\\%
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_major
(2R,4aR,7S,8S,8aR)-8-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4,4,7,8a-tetramethyl-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,7-diol_92.7\\%
5-(Tetradecyloxy)-2-furoic acid
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites TOFA (RMI14514;MDL14514) is an allosteric inhibitor of acetyl-CoA carboxylase-α (ACCA ).
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate
methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic acid
Lactapiperanol D
(13R,14R)-8-Labdene-13,14,15-triol
(13R,14R)-7-Labdene-13,14,15-triol
8-benzyl-3-exo-(3-isopropyl-5-methyl-4h-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
Bupivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents Bupivacaine hydrochloride is a NMDA receptor inhibitor.Bupivacaine can block sodium, L-calcium, and potassium channels.Bupivacaine potently blocks SCN5A channels with the IC50 of 69.5 μM. Bupivacaine hydrochloride can be used for the research of chronic pain[1][2][3].
2-(benzylmethylamino)pyridine-5-boronic acid pinacol ester
3-(6-methoxynaphthalen-2-yl)-9-methyl-3,9-diazaspiro[5.5]undecane
6-(4-Methylbenzylamino)pyridine-3-boronic acid pinacol ester
trimethyl-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl]silane
1-decyl-2,3-dimethylimidazolium tetrafluoroborate
C15H29BF4N2 (324.23597920000003)
sodium 1-(carboxymethyl)-4,5-dihydro-1(or 3)-(2-hydroxyethyl)-2-nonyl-1H-imidazolium hydroxide
C15H29N2NaO4 (324.20249140000004)
Diampromide
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
1,2-Ethanediol - 1,1-methylenebis(4-isocyanatocyclohexane) (1:1)
C17H28N2O4 (324.20489680000003)
1-(3,3-DIETHOXYPROPYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C16H29BN2O4 (324.22202640000006)
2-Methoxy-5-(3,7-dimethyloctyloxy)-1,4-bis(hydroxymethyl)benzene
Levobupivacaine hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1-((2-(TRIMETHYLSILYL)ETHOXY)METHYL)-1H-PYRAZOLE
1-(3,3-DIETHOXYPROPYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
C16H29BN2O4 (324.22202640000006)
2,2-dimethyl-N-[6-(piperidin-1-ylmethyl)naphthalen-2-yl]propanamide
Antibiotic 1233A
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
4-Diphenylacetoxy-1,1-dimethylpiperidinium
C21H26NO2+ (324.19634360000003)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
C19H24N4O (324.19500139999997)
(2S,3S)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
Methyl 7-{4-[2-(2-hydroxyethoxy)ethoxy]phenyl}heptanoate
[3-carboxy-2-[(2E,4E,6E)-undeca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(2E,5E,8E)-undeca-2,5,8-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(4E,6E,9E)-undeca-4,6,9-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
[3-carboxy-2-[(3E,5E,7E)-undeca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
C18H30NO4+ (324.21747200000004)
(Z)-2-[2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]ethyl]but-2-ene-1,4-diol
(1S,3aR,4S,6S,6aS,9aS,9bS)-9a-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylidene-2,3,3a,4,5,6,6a,8,9,9b-decahydro-1H-phenalene
A natural product found in Pseudaxinella flava.
(1S,3aR,3a1S,4S,6S,6aS,9aR)-1-isocyano-6-(2-isocyano-2-methylpropyl)-1,4-dimethyl-7-methylenedodecahydro-1H-phenalene
A natural product found in Pseudaxinella flava.
6-[2-(4-Aminophenyl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
1-(4-Benzylpiperazin-1-yl)-2-(pyridin-2-ylamino)propan-1-one
C19H24N4O (324.19500139999997)
N-[(2R,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3S,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2S,3R,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
N-[(2R,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclobutanecarboxamide
C17H28N2O4 (324.20489680000003)
(3R,5R)-7-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[[2-[(3S)-3-methyl-2-oxopentyl]cyclopropyl]methyl]cyclopropyl]butanoic acid
1-O-[(7Z,10Z,13Z)-1-Oxo-7,10,13-hexadecatrienyl]glycerol
3-Ethoxy-6-(5-methyl-1-trimethylsiloxy-4-hexenyl)-2-cyclohexen-1-one
(2S,3S)-4-Benzyloxy-1-(tert-butyldimethylsi1yloxy)-3-methylbutan-2-OL
Methyl 2,6-dimethyl-9-(N-methylpiperazinylcarbamoyl)-6-nonenoate
2-[(1R,3S,8R,11S,13R,14S)-14-[(Z)-prop-1-enoxy]-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-13-yl]acetaldehyde
2,3-dihydroxypropyl (9E,11E,13E)-hexadeca-9,11,13-trienoate
(9E,13Z,15E)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
2,3-dinor-prostaglandin E2
A prostanoid that is prostaglandin E2 lacking two methylenes in the carboxyalkyl chain.
HEDE
A hydroxy fatty acid that is any icosadienoic acid bearing a single hydroxy substituent. An oxidation product of icosadienoic acid metabolism.
15-HEDE
A hydroxyeicosadienoic acid that consists of 11Z,13E-eicosatrienoic acid bearing a 15-hydroxy substituent. It is produced by non-enzymatic oxidation of 11,14-eicosadienoic acid. There are no reports in the literature of biological activity associated with 15-HEDE.
DG(15:3)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
(1s)-1-[(3s,4ar,6as,10as,10br)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
(2e,4e)-5-[(1r,2s,3r,4r,4as,6r,8r,8as)-1,3,4-trihydroxy-2,6,8-trimethyl-octahydro-2h-naphthalen-1-yl]penta-2,4-dienoic acid
1-hydroxy-13,13-dimethoxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one
(2z)-2-{2-[(1s,2r,4ar,5s,8ar)-5-(hydroxymethyl)-1,2,4a-trimethyl-octahydronaphthalen-1-yl]ethyl}but-2-ene-1,4-diol
5-[2-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentanal
methyl 2-hydroxy-8-(2-octylcycloprop-1-en-1-yl)octanoate
5-(5-hydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl)-3-methylpentanoic acid
methyl 2-[(3s,6r)-4,6-diethyl-6-[(2r,3e)-2-ethylhex-3-en-1-yl]-3h-1,2-dioxin-3-yl]acetate
methyl 2-[(2r,4as,7r,8s,8ar)-7-(acetyloxy)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoate
4-(3-hydroxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-octahydronaphthalene-2,6-diol
5,12-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(2s)-2-dodecyl-5-(2-methoxyethyl)-2-methylfuran-3-one
1-[(2r,3s,5r,6r,8r)-2,6-dihydroxy-4,9-dioxatricyclo[5.3.0.0³,⁵]dec-1(7)-en-8-yl]decan-2-one
(1r)-1-[(3r,4as,6as,10as,10br)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
13-hydroxy-11-methoxy-6-(2-methoxypropan-2-yl)-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
4,6-dimethyl-10-(2-methylbut-3-en-2-yl)-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol
5-hydroperoxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol
1-(5-hydroxy-2,4b,8,8-tetramethyl-decahydro-1h-phenanthren-2-yl)ethane-1,2-diol
(5r,6r)-5-ethyl-6-[(2r,3s,4r,5s,7e)-2-hydroxy-4-methoxy-3,5-dimethylnon-7-en-1-yl]-5,6-dihydropyran-2-one
9-(2,2-dimethyl-6-methylidenecyclohexyl)-3,7-dimethylnon-2-ene-1,6,7-triol
5,13-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(3e,5r,6e,8s,13r,14r)-5,10-dihydroxy-8-methoxy-5,13,14-trimethyl-9-methylidene-1-oxacyclotetradeca-3,6-dien-2-one
(2s)-4-methyl-5-oxo-2-tridecyl-2h-furan-3-carboxylic acid
(3r)-5-[(1s,2r,4ar,5s,8ar)-5-hydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]-3-methylpentanoic acid
3-[(16-hydroxyhexadeca-1,5-dien-3-yn-1-yl)oxy]propane-1,2-diol
4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl 2-[(1-hydroxyethoxy)methyl]prop-2-enoate
3α-acetoxy-4α-hydroxy-11(13)-eudesmen-12-oicacid methyl ester
{"Ingredient_id": "HBIN007934","Ingredient_name": "3\u03b1-acetoxy-4\u03b1-hydroxy-11(13)-eudesmen-12-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C18H28O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "216","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3α-acetoxydiversifolol
{"Ingredient_id": "HBIN007935","Ingredient_name": "3\u03b1-acetoxydiversifolol","Alias": "NA","Ingredient_formula": "C18H28O5","Ingredient_Smile": "CC(=O)OC1CCC2(CCC(CC2C1(C)O)C=CC(=O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "175","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
[8]-gingediol
{"Ingredient_id": "HBIN013736","Ingredient_name": "[8]-gingediol","Alias": "NA","Ingredient_formula": "C19H32O4","Ingredient_Smile": "CCCCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "324.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15541","TCMID_id": "8383","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101941698","DrugBank_id": "NA"}
annosquamosin g
{"Ingredient_id": "HBIN016238","Ingredient_name": "annosquamosin g","Alias": "NA","Ingredient_formula": "C19H32O4","Ingredient_Smile": "CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)OO","Ingredient_weight": "324.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1331","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11034695","DrugBank_id": "NA"}
(1s,3r,4s,8r,9s,10s,13s)-10-hydroxy-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecan-9-yl acetate
(5r)-5-hydroxy-4-[(4s,8s)-4,8,12-trimethyltridecyl]-5h-furan-2-one
(1s,2s,6r,7s,10r,11r,12r)-2-[(3e,5z)-octa-3,5-dien-1-yl]tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylic acid
1-[5,6-dihydroxy-1,8-dimethyl-2-(sec-butyl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxypropan-1-one
5-(5-hydroxy-3-methylpent-3-en-1-yl)-1,1,4a,6-tetramethyl-hexahydro-2h-naphthalene-2,6-diol
(1r)-1-[(3r,4ar,6as,10as,10br)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
(ethenyl-oxo-λ⁵-azanylidene)(15-methyl-8-oxohexadecyl)amine
(15r,17s,19r)-17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraene
(3s)-5-[(1r,2s,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
(2r,3s,4r,4as,6s,8s,8as)-4-[(3s)-3-hydroxy-3-methylpent-4-en-1-yl]-3,4,8,8a-tetramethyl-octahydronaphthalene-2,6-diol
(6e,8e,10e)-2-{tetracyclo[4.3.0.0²,⁴.0³,⁷]non-8-en-1-yl}trideca-6,8,10-trienoic acid
(1ar,4s,4as,5r,8as)-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl 2-{[(1r)-1-hydroxyethoxy]methyl}prop-2-enoate
(2e,7s,10e,12r)-3,7,11,15-tetramethylhexadeca-2,10,14-triene-1,7,12-triol
(2e,4e)-5-(1,3,4-trihydroxy-2,6,8-trimethyl-octahydro-2h-naphthalen-1-yl)penta-2,4-dienoic acid
methyl 2-[3,5-dihydroxy-2-(1-methoxyoctyl)phenyl]acetate
3-{[(4as,5r,8s,8ar)-8-hydroxy-8-isopropyl-5-methyl-4,4a,5,6,7,8a-hexahydro-3h-naphthalen-2-yl]methoxy}-3-oxopropanoic acid
(2s,4ar,5s,6s,8as)-5-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-hexahydro-2h-naphthalene-2,6-diol
5-[(2r,11s)-2,11-dihydroxytridecyl]benzene-1,3-diol
1-[(3s,4ar,6as,10as,10br)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
1-[(1s,2s,4ar,5s,6r,8r,8as)-2-[(2r)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxypropan-1-one
1-(10a-hydroxy-2,4b,8,8-tetramethyl-decahydrophenanthren-2-yl)ethane-1,2-diol
(1s,2s,4ar,7r,8as)-1-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalene-2,7-diol
4-{1-[4-(diethylamino)phenyl]ethyl}-n,n-diethylaniline
(1s,3r,4s,8r,9s,10s,13r)-10-hydroxy-13-methoxy-3,6,6-trimethyl-12-oxatetracyclo[8.3.0.0¹,³.0⁴,⁸]tridecan-9-yl acetate
7,9,17-trihydroxyoctadeca-2,4,10,12-tetraenoic acid
(1s,2s,4ar,7r,8ar)-1-[(3e)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalene-2,7-diol
(1r,4as,5's,8as)-5,5,5',8a-tetramethyl-3-oxo-tetrahydro-4h-spiro[2-benzopyran-1,2'-oxolan]-5'-ylacetic acid
(2z)-2-{2-[(1r,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]ethyl}but-2-ene-1,4-diol
(2e,4z,10e,12e,17r)-7,9,17-trihydroxyoctadeca-2,4,10,12-tetraenoic acid
1-{12-ethyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-8-yl}ethanone
3-[(2e)-5-butyloxolan-2-ylidene]-5-hydroxy-6-pentyloxane-2,4-dione
2-{6-[2-(2,2-dimethyl-6-methylidenecyclohexyl)ethyl]-6-methyl-1,2-dioxan-3-yl}propanoic acid
4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-yl benzoate
(1r,2r,4ar,5s,6s,8as)-5-[(3s)-3-hydroxy-3-methylpent-4-en-1-yl]-1,5,6,8a-tetramethyl-hexahydro-2h-naphthalene-1,2-diol
(2r,3s,4r,4ar,8ar)-4-[(3s)-5-hydroxy-3-methylpentyl]-8-(hydroxymethyl)-3,4,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-2-ol
(1r,2s,4as,5's,6s,8as)-5'-(2-hydroxyethyl)-2,5,5,5',8a-pentamethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-ol
5-hydroxy-6-(2-hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-3-en-1-yl 2-methylpropanoate
5'-(2-hydroxyethyl)-2,5,5,5',8a-pentamethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-ol
(2r,4as,5r,7r,8ar)-5-[(3s)-5-hydroxy-3-methylpentyl]-1,1,4a-trimethyl-6-methylidene-hexahydro-2h-naphthalene-2,7-diol
2-{tetracyclo[4.3.0.0²,⁴.0³,⁷]non-8-en-1-yl}trideca-6,8,10-trienoic acid
(1r,6s,11as,14ar)-1-hydroxy-13,13-dimethoxy-6-methyl-1h,6h,7h,8h,9h,11ah,12h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one
(1r)-1-[(3r,4as,6ar,10ar,10bs)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
(1r,2s,4e,9r)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-2-yl benzoate
(1r,2s,4as,5'r,6s,8as)-5'-(2-hydroxyethyl)-2,5,5,5',8a-pentamethyl-hexahydro-2h-spiro[naphthalene-1,2'-oxolan]-6-ol
(1r,2r,4ar,5s,6r,8ar)-5-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,5,6,8a-tetramethyl-hexahydro-2h-naphthalene-1,2-diol
(2e,7r,10e,12r)-3,7,11,15-tetramethylhexadeca-2,10,14-triene-1,7,12-triol
17-ethoxy-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraene
4-{9-hydroxy-4,8,10-trimethyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-9-yl}butanoic acid
4,10-dihydroxy-3,9,13-trimethyl-6-(prop-1-en-2-yl)cyclotetradecan-1-one
(1r,4s,7r,8s,9r,11s,12s)-7,12-dihydroxy-2,2,4,9-tetramethyl-5-methylidene-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(1ar,2r,3ar,4s,5r,7ar,7bs)-4-[(3s)-5-hydroxy-3-methylpentyl]-4,5,7a,7b-tetramethyl-hexahydro-1ah-naphtho[1,2-b]oxiren-2-ol
1-(8a-hydroxy-2,4a,8,8-tetramethyl-decahydrophenanthren-2-yl)ethane-1,2-diol
(2r,3s,4s,7r)-4,6-dimethyl-10-(2-methylbut-3-en-2-yl)-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraen-3-ol
(2r)-4-methyl-5-oxo-2-tridecyl-2h-furan-3-carboxylic acid
5-hydroxy-4-(4,8,12-trimethyltridecyl)-5h-furan-2-one
(3r)-5-[(1r,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
3-(5-butyloxolan-2-ylidene)-5-hydroxy-6-pentyloxane-2,4-dione
1-{3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl}ethane-1,2-diol
4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
(3r,4r,6r,9r,10r,13s)-4,10-dihydroxy-3,9,13-trimethyl-6-(prop-1-en-2-yl)cyclotetradecan-1-one
1-(5-hydroxy-3-methylpent-3-en-1-yl)-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalene-2,7-diol
(3r)-5-[(1as,3ar,4s,5r,7as,7br)-4,5,7a,7b-tetramethyl-hexahydro-1ah-naphtho[1,2-b]oxiren-4-yl]-3-methylpentane-1,3-diol
3,7,11,15-tetramethylhexadeca-2,10,14-triene-1,7,12-triol
(1r)-1-[(3s,4ar,6as,10as,10br)-3,4a,7,7,10a-pentamethyl-octahydro-1h-naphtho[2,1-b]pyran-3-yl]ethane-1,2-diol
4-chloro-1-{6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl}-4-methylpentan-3-ol
C20H33ClO (324.22197980000004)
5-{4,5,7a,7b-tetramethyl-hexahydro-1ah-naphtho[1,2-b]oxiren-4-yl}-3-methylpentane-1,3-diol
(1s,4ar,5s,6s,8as)-6-hydroxy-5-[(3s)-5-hydroxy-3-methylpentyl]-1,4a,6-trimethyl-hexahydro-2h-naphthalene-1-carbaldehyde
2-[(3e)-octa-3,5-dien-1-yl]tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylic acid
methyl 2-[(3s,6s)-6-[(4e,6e)-deca-4,6-dien-1-yl]-6-methoxy-3h-1,2-dioxin-3-yl]acetate
(1r,4s,7s,8s,9r,11s,12s)-7,12-dihydroxy-2,2,4,9-tetramethyl-5-methylidene-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(2r,3r)-5-[(1s,4as,8ar)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentane-1,2,3-triol
(3r)-5-[(1s,2r,4ar,5r,8ar)-5-hydroxy-1,2,4a,5-tetramethyl-hexahydro-2h-naphthalen-1-yl]-3-methylpentanoic acid
7,12-dihydroxy-2,2,4,9-tetramethyl-5-methylidene-6-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl acetate
(1s)-1-[(2s,4as,4br,5r,8as,10as)-5-hydroxy-2,4b,8,8-tetramethyl-decahydro-1h-phenanthren-2-yl]ethane-1,2-diol
(9z,13z,15e)-14,18-dihydroxy-12-oxooctadeca-9,13,15-trienoic acid
2-{2-[5-(hydroxymethyl)-1,2,4a-trimethyl-octahydronaphthalen-1-yl]ethyl}but-2-ene-1,4-diol
2-[(3r,6r)-6-methyl-6-[2-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl]-1,2-dioxan-3-yl]propanoic acid
4-(5-hydroxy-3-methylpentyl)-8-(hydroxymethyl)-3,4,8a-trimethyl-1,2,3,4a,5,6-hexahydronaphthalen-2-ol
10-hydroxy-13-methoxy-4,5,10,14-tetramethyl-6,15-dioxabicyclo[12.1.0]pentadeca-8,11-dien-7-one
ethyl 2,4-dihydroxy-6-[(8s)-8-hydroxynonyl]benzoate
methyl 2-[7-(acetyloxy)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoate
(3s)-5-[(1r,2r,4as,8as)-2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl]-3-methylpentanoic acid
5-(2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)-3-methylpentanoic acid
(2e,6s,7s)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol
(3r,6r,7s,11s,13s)-13-hydroxy-11-methoxy-6-(2-methoxypropan-2-yl)-3-methyl-2-oxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
(2e,6r,7s)-9-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol
5-ethyl-6-(2-hydroxy-4-methoxy-3,5-dimethylnon-7-en-1-yl)-5,6-dihydropyran-2-one
(2s)-5-[(1s,8as)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]-3-methylpentane-1,2,3-triol
(1r,3s,5s,5as,7s,9r,9as,9br)-1,3,5-trimethoxy-7,9a-dimethyl-6-methylidene-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-ol
(3s)-4-chloro-1-[(1s,5e,9r,10r)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-methylpentan-3-ol
C20H33ClO (324.22197980000004)
(2s)-1-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-3-ethoxy-3-methylbutan-2-ol
4-[3-(4-hydroxyphenyl)-4-isopropyl-1-methylcyclohexyl]phenol
4-[(1s,3s,4r)-3-(4-hydroxyphenyl)-4-isopropyl-1-methylcyclohexyl]phenol
5,11-dihydroxy-8-methoxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(1s,4s,5s,9s,10r,13r,14s)-5-hydroperoxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol
(2s,3r)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
methyl (2e)-3-[(2r,4as,7r,8s,8ar)-7-(acetyloxy)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]prop-2-enoate
5-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)-3-methylpentane-1,2,3-triol
(3s,6e,10e,14s)-2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
2-[2-(2-hydroxy-2,5,5,8a-tetramethyl-hexahydro-1h-naphthalen-1-yl)ethyl]but-2-ene-1,4-diol
(1r,5s,6s)-5-hydroxy-6-[(2s)-2-hydroxy-6-methylhept-5-en-2-yl]-3-methylcyclohex-3-en-1-yl 2-methylpropanoate
(2r,3r)-5-[(4ar,8as)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentane-1,2,3-triol
(1s,2s,4as,5r,6r,8ar)-5-[(3r)-3-hydroxy-3-methylpent-4-en-1-yl]-1,5,6,8a-tetramethyl-hexahydro-2h-naphthalene-1,2-diol
(1s,2s,3r,6r,7r,10s,11s,12s)-2-[(3e,5z)-octa-3,5-dien-1-yl]tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-diene-7-carboxylic acid
(2r,3s)-5-[(1r,4ar,8ar)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-methylpentane-1,2,3-triol
5-(3-hydroxy-3-methylpent-4-en-1-yl)-1,5,6,8a-tetramethyl-hexahydro-2h-naphthalene-1,2-diol
2,6,10,14-tetramethylhexadeca-6,10,15-triene-2,3,14-triol
1-[(1s,2s,4ar,5s,6s,8r,8as)-2-[(2r)-butan-2-yl]-5,6-dihydroxy-1,8-dimethyl-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxypropan-1-one
(1s,4s,5s,9s,10s,13r,14s)-5-hydroperoxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-14-ol
1-[(1r,9r,12s,19s)-12-ethyl-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-8-yl]ethanone
(1r)-1-[(2r,4as,4br,8ar,10as)-10a-hydroxy-2,4b,8,8-tetramethyl-decahydrophenanthren-2-yl]ethane-1,2-diol
1-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]-3-ethoxy-3-methylbutan-2-ol
(2r,3s)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid
1-methoxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene
triethyl({[4-(3-phenylbutan-2-yl)phenyl]methyl})azanium
[C23H34N]+ (324.26911040000005)