Exact Mass: 314.1604
Exact Mass Matches: 314.1604
Found 410 metabolites which its exact mass value is equals to given mass value 314.1604
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Clomipramine
Clomipramine, the 3-chloro analog of imipramine, is a dibenzazepine-derivative tricyclic antidepressant (TCA). TCAs are structurally similar to phenothiazines. They contain a tricyclic ring system with an alkyl amine substituent on the central ring. In non-depressed individuals, clomipramine does not affect mood or arousal, but may cause sedation. In depressed individuals, clomipramine exerts a positive effect on mood. TCAs are potent inhibitors of serotonin and norepinephrine reuptake. Tertiary amine TCAs, such as clomipramine, are more potent inhibitors of serotonin reuptake than secondary amine TCAs, such as nortriptyline and desipramine. TCAs also down-regulate cerebral cortical β-adrenergic receptors and sensitize post-synaptic serotonergic receptors with chronic use. The antidepressant effects of TCAs are thought to be due to an overall increase in serotonergic neurotransmission. TCAs also block histamine-H1 receptors, α1-adrenergic receptors and muscarinic receptors, which accounts for their sedative, hypotensive and anticholinergic effects (e.g. blurred vision, dry mouth, constipation, urinary retention), respectively. See toxicity section below for a complete listing of side effects. Clomipramine may be used to treat obsessive-compulsive disorder and disorders with an obsessive-compulsive component (e.g. depression, schizophrenia, Tourettes disorder). Unlabeled indications include panic disorder, chronic pain (e.g. central pain, idiopathic pain disorder, tension headache, diabetic peripheral neuropathy, neuropathic pain), cataplexy and associated narcolepsy, autistic disorder, trichotillomania, onchophagia, stuttering, premature ejaculation, and premenstrual syndrome. Clomipramine is rapidly absorbed from the gastrointestinal tract and demethylated in the liver to its primary active metabolite, desmethylclomipramine. CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8506; ORIGINAL_PRECURSOR_SCAN_NO 8504 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8514; ORIGINAL_PRECURSOR_SCAN_NO 8513 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8510; ORIGINAL_PRECURSOR_SCAN_NO 8508 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8427; ORIGINAL_PRECURSOR_SCAN_NO 8426 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8459; ORIGINAL_PRECURSOR_SCAN_NO 8457 CONFIDENCE standard compound; INTERNAL_ID 570; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8468; ORIGINAL_PRECURSOR_SCAN_NO 8467 N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake 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 > D014179 - Neurotransmitter Uptake Inhibitors CONFIDENCE standard compound; EAWAG_UCHEM_ID 3669 CONFIDENCE standard compound; INTERNAL_ID 1527 D049990 - Membrane Transport Modulators
dapdiamide B
A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
dapdiamide C
A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group.
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Homochlorcyclizine is a diphenylmethylpiperazine H1-antihistamine.↵
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is isolated from Citrus hassaku juice oil. Isolated from Citrus hassaku juice oil. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus.
Gibberellin A120
Gibberellin A120 (GA120) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A120 is found in fruits. Gibberellin A120 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A120 is found in fruits and peach.
Menadiol dibutyrate
Prothrombogenic vitamin. Prothrombogenic vitamin
17-Ethynyl-16-fluoroestradiol
Dehydrocrotonin
7-(5-hydroxy-3,7-dimethylocta-2,6-dienyloxy)-chromen-2-one
(E)-6-Hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde
7-[(3-Methyl-2-butenyl)oxy]-8-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-one
(+)-7-(3-Methylbut-2-enyloxy)-8-(2-hydroxy-3-methylbut-3-enyl)coumarin
(+)-7-(3-Methylbut-2-enyloxy)-8-(4-hydroxy-3-methylbut-2-enyl)coumarin
2-(2,3-Dihydroxy-3-methylbutyl)-5-(2-phenylethenyl)-1,3-benzenediol
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one
8-geranyl-7-hydroxycoumarin|8-geranyloxy-7-hydroxycoumarin
erythro-1-(4-hydroxyphenyl)-2-(2-methoxy-4-(E)-propenylphenoxy)-propan-1-ol|erythro-1-(4-hydroxyphenyl)-2-<2-methoxy-4-(E)-propenylphenoxy>-propan-1-ol
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-6-en-3-ol
5-geranyloxy-7-hydroxycoumarin|5-geranyloxy-7-methoxycoumarin
(+)-(6R,2E)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 coumarine|(+)-epoxy-6,7-auraptene|(+/-)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 cumarine|(+/-)-epoxyaurapten|(E)-7-<<5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl>oxy>-2H-1-benzopyran-2-one|(R)-(+)-aurapten-6,7-epoxyde|(R)-7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|6,7-Epoxyauraptene|7-(6,7-epoxygeranyloxy)coumarin|7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|7-{[(E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-pentenyl]oxy}-2H-chromen-2-one|Epoxyaurapten|epoxyauraptene|geranyl umbelliferone monoepoxide
6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-7-hydroxycoumarin
Di-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol
5-oxo-6,7-dihydroaureptene|7-(3,7-dimethyl-6-oxo-(2E)-2-octenyloxy)coumarin|7-<3,7-dimethyl-6-oxo-(2E)-2-octenyloxy>coumarin
3-(3,3-dimethylallyl)-marmesin|dl-3-(3,3-dimethylallyl)marmesin
(+-)-Latifolin-dimethylether|(+-)-Latifolindimethylether|2,5-Dihydro-2-methoxy-2,5-di-O-methyl-dalbergion|Latifolin-dimethylether|Latifolindimethylether
2,3-trans-3,4-cis-4,5-cis-5-(4-Hydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran
(4E,6Z,12E)-3-O-(3-Methyl-2-butenoyl)-4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol,
(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|3-Methoxy-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(e-hydroxypropyl)-3-methylbenzofuran
13,15-Diacetoxy-pentadecatrien-(2t,8t,10t)-diin-(4,6)|Centaur X(2)|Centaur X2
Neocryptotanshinone
Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one|3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|eryvarin X
N-[(3E)-4-methylhex-3-enoyl]-L-tryptophan|streptomycindole
4-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
(8R,8S)-7-(3,4-methylenedioxyphenyl)-8,8-dimethyl-7-(3,4-dihydroxyphenyl)-butane
1,5-epoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
(3S)-2-(4-hydroxyphenyl)ethyl 3-hydroxy-5-phenylpentanoate|(3S)-3-hydroxy-5-phenylpentanoic acid 2-(4-hydroxyphenyl)ethyl ester
1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-one|muricarpin
(1R,3R,5R)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyheptane
(??)-3鈥樎?6鈥樎?Epoxycycloauraptene|3鈥樎?6鈥樎?Epoxycycloauraptene
(E)-6-(7-hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin|7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one
5,7-Dihydroxy-8-lavandulyl-4H-1-benzopyran-4-one|exiguachromone A
7-O-(3-Methyl-2-butenyl)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
(4E)-1,5-bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
NCI60_031207
1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione is a natural product found in Salvia miltiorrhiza with data available. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
Anisocoumarin H
Anisocoumarin H is a natural product found in Esenbeckia grandiflora and Zanthoxylum rhoifolium with data available.
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
4-(7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
C19H22O4_(2R,3R,4aS,5R,8aS)-5-(3-Furyl)-2,5-dimethyl-4,4a,8,8a-tetrahydro-2H-spiro[furan-3,1-naphthalene]-4,7(3H,5H)-dione
clomipramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake 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 > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
6-(1,1-Dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-G]chromen-7-one
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000846659]
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000848851]
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one_major
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one_major
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one_major
6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE_major
Ala Ala Gly Pro
Ala Ala Pro Gly
Ala Gly Ala Pro
Ala Gly Pro Ala
Ala Pro Ala Gly
Ala Pro Gly Ala
Gly Ala Ala Pro
Gly Ala Pro Ala
Gly Pro Ala Ala
Ergoline-1-carboxaldehyde, 8-(hydroxymethyl)-10-methoxy-6-methyl-, (8b)-
Pro Ala Ala Gly
Pro Ala Gly Ala
Pro Gly Ala Ala
gibberellin A120
7-(6R-Hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
4-isopropyl-2,5-dioxoimidazolidine-1,3-di(propionohydrazide)
Triprolidine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018926 - Anti-Allergic Agents
4-[(2R)-2-(Chloromethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
Benzoic acid, 4-(hexyloxy)-, 4-hydroxyphenyl ester
TERT-BUTYL 3-(2-CYANOPROPAN-2-YL)-5-METHOXY-1H-INDOLE-1-CARBOXYLATE
diethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
methyl (E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-phenylprop-2-enoate
ethane-1,2-diol: hexanedioic acid: 2-(2-hydroxyethoxy)ethanol
1,3-Di(p-tolyl)-1,1,3,3-tetramethyldisiloxane, 94\\%
7,8-Bis[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one
3-HYDROXY-N-[3-(4-MORPHOLINYL)PROPYL]-2-NAPHTHALENECARBOXAMIDE
N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
Ethidium
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D004396 - Coloring Agents > D005456 - Fluorescent Dyes D004791 - Enzyme Inhibitors
4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma comosa.
7-[[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadienyl]oxy]-2H-1-benzopyran-2-one
N~3~-[3-(1h-Indol-6-Yl)benzyl]pyridine-2,3-Diamine
Homochlorcyclizine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
4-(7-Hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(2S,3S)-2-{[(2S)-3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-2-azaniumylpropanoyl]amino}-3-methylpentanoate
(2S,3S)-2-[[(2S)-2-amino-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]propanoyl]amino]-3-methylpentanoic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
[3-Carboxy-2-[4-(carboxymethyl)-3-methylidenepent-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-7-carboxyhepta-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-7-carboxyhepta-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-7-carboxyhepta-2,4-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,6E)-7-carboxyhepta-3,6-dienoyl]oxypropyl]-trimethylazanium
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-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.
(+)-(7S,8S,8S)-3,4,4-trihydroxy-5-methoxy-2,7-cyclolignan
A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 2 and 3, a hydroxy group at position 7, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-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.
3,7-Dibutyl-3,7-dimethyl-2,6-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dithione
3-[(2-ethyl-1-oxobutyl)amino]-N-(2-furanylmethyl)benzamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyridinecarboxamide
N-(3-fluoro-4-methylphenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide
Ala-Gln-Pro
A tripeptide composed of L-alanine, L-glutamine, and L-proline joined in sequence by peptide linkages.
1-[(1S,2aR,8bR)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aR,8bR)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aS,8bS)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1S,2aS,8bS)-4-acetyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
dapdiamide C zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3.
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
2,3-Dehydro-gibberellin A9
A C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
dapdiamide B zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3.
Antrodin A
Antrodin A is one of the main active ingredients in the solid-state fermented A. camphorate mycelium. Antrodin A protects the liver from alcohol damage by improving the antioxidant and anti-inflammatory capacity of the liver and maintaining the stability of the intestinal flora[1].
(9r,11r)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
4-[3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]propane-1,3-diol
1-[2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
1-[(1r,4s,4as,8as)-2-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
7-{[(2e)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
(6r)-6-[(1e,4r,6r,7e)-4,6-dihydroxy-8-phenylocta-1,7-dien-1-yl]-5,6-dihydropyran-2-one
1-[(1r,2s,3r,8ar)-2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
4-[5-hydroxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-en-1-yl]phenol
4-[(3r,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
7-{[(2e)-5-[(2s)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
7-{[(3s,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
7-{[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}chromen-2-one
(10r,12r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10,12-triol
1-hydroxy-2-[(2s)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
4-[(3s,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
(1s,5r,8s,9s,10r,11r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-2-ene-9-carboxylic acid
(12r,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
7-{[(1r,5r)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]methoxy}chromen-2-one
7-{[(2e)-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}chromen-2-one
3-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methylphenol
(9r,11s)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
(3r,8s,9z)-3-(acetyloxy)pentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
(4ar)-6-hydroxy-5-methoxy-1,1,4a,7-tetramethyl-3,4-dihydrophenanthrene-2,9-dione
7-{[(1s,3r)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]methoxy}chromen-2-one
1-[4-hydroxy-2-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutan-2-one
(3r,5z,7e,13e)-1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
7-{[(3z,5e)-7-hydroxy-3,7-dimethylocta-3,5-dien-1-yl]oxy}chromen-2-one
(12s,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
2-(4-hydroxyphenyl)-4-methoxy-5-methyl-3,4,5,6-tetrahydro-2h-1-benzoxocin-9-ol
2-[3-(acetyloxy)-5,8-dimethylnaphthalen-2-yl]propan-2-yl acetate
7-{[(3r,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
12-senecioyl-2E,8E,10E-atractylentriol
{"Ingredient_id": "HBIN000978","Ingredient_name": "12-senecioyl-2E,8E,10E-atractylentriol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "62.39646702","CAS_id": "113269-39-9","SymMap_id": "SMIT02709","TCMID_id": "NA","TCMSP_id": "MOL000020","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol
{"Ingredient_id": "HBIN000979","Ingredient_name": "12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-39-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9341","PubChem_id": "NA","DrugBank_id": "NA"}
4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)
{"Ingredient_id": "HBIN010049","Ingredient_name": "4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-38-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7909","PubChem_id": "NA","DrugBank_id": "NA"}
α,α'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
{"Ingredient_id": "HBIN015347","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}