Exact Mass: 226.1411
Exact Mass Matches: 226.1411
Found 500 metabolites which its exact mass value is equals to given mass value 226.1411,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4,4-Methylene di-o-toluidine
CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5346; ORIGINAL_PRECURSOR_SCAN_NO 5344 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5297; ORIGINAL_PRECURSOR_SCAN_NO 5295 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5346; ORIGINAL_PRECURSOR_SCAN_NO 5345 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5344; ORIGINAL_PRECURSOR_SCAN_NO 5342 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5314; ORIGINAL_PRECURSOR_SCAN_NO 5313 CONFIDENCE standard compound; INTERNAL_ID 322; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5349; ORIGINAL_PRECURSOR_SCAN_NO 5348 CONFIDENCE standard compound; INTERNAL_ID 4142
Amobarbital
Amobarbital is only found in individuals that have used or taken this drug. It is a barbiturate with hypnotic and sedative properties (but not antianxiety). Adverse effects are mainly a consequence of dose-related CNS depression and the risk of dependence with continued use is high. (From Martindale, The Extra Pharmacopoeia, 30th ed, p565)Amobarbital (like all barbiturates) works by binding to the GABAA receptor at either the alpha or the beta sub unit. These are binding sites that are distinct from GABA itself and also distinct from the benzodiazepine binding site. Like benzodiazepines, barbiturates potentiate the effect of GABA at this receptor. This GABAA receptor binding decreases input resistance, depresses burst and tonic firing, especially in ventrobasal and intralaminar neurons, while at the same time increasing burst duration and mean conductance at individual chloride channels; this increases both the amplitude and decay time of inhibitory postsynaptic currents. In addition to this GABA-ergic effect, barbiturates also block the AMPA receptor, a subtype of glutamate receptor. Glutamate is the principal excitatory neurotransmitter in the mammalian CNS. Amobarbital also appears to bind neuronal nicotinic acetylcholine receptors. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Pentobarbital
A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236) D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
12-Hydroxyjasmonic acid
An oxo carboxylic acid that is jasmonic acid in which one of the hydrogens of the methyl group is replaced by a hydroxy group.
6-Methylergoline
An ergoline alkaloid obtained by selective methylation of the N-6 position of ergoline.
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a flavouring ingredient.Methyl dihydrojasmonate is an ester and a diffusive aroma compound, with the smell vaguely similar to jasmin. In racemic mixtures the odour is floral and citrus while epimerized mixtures exhibit a dense fatty floral odour with odor recognition thresholds of 15 part per billion Flavouring ingredient [DFC] Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
4,5-Dihydrovomifoliol
4,5-Dihydrovomifoliol is found in alcoholic beverages. 4,5-Dihydrovomifoliol is a constituent of Vitis vinifera grapes and Riesling wine. Constituent of Vitis vinifera grapes and Riesling wine. 4,5-Dihydrovomifoliol is found in alcoholic beverages and fruits.
Allixin
Constituent of garlic (Allium sativum). Potential nutriceutical. Allixin is found in garlic, soft-necked garlic, and onion-family vegetables. Allixin is found in onion-family vegetables. Allixin is a constituent of garlic (Allium sativum). Potential nutriceutical.
Riesling acetal
Riesling acetal is found in alcoholic beverages. Riesling acetal is a constituent of Riesling wine. Constituent of Riesling wine. Riesling acetal is found in alcoholic beverages.
3,4-Methylenesebacic acid
3,4-Methylenesebacic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
2-[(Z)-[(4Z)-4-(Diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine
Pirlindole
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000970 - Antineoplastic Agents
Senkyunolide N
Senkyunolide j is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Senkyunolide j is soluble (in water) and a very weakly acidic compound (based on its pKa). Senkyunolide j can be found in wild celery, which makes senkyunolide j a potential biomarker for the consumption of this food product.
3,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one
It is used as a food additive .
7-Epi-12-hydroxyjasmonic acid
7-epi-12-hydroxyjasmonic acid, also known as (+)-12-hydroxy-7-isojasmonate, is a member of the class of compounds known as jasmonic acids. Jasmonic acids are lipids containing or derived from a jasmonic acid, with a structure characterized by the presence of an alkene chain linked to a 2-(3-oxocyclopentyl)acetic acid moiety. Thus, 7-epi-12-hydroxyjasmonic acid is considered to be an octadecanoid lipid molecule. 7-epi-12-hydroxyjasmonic acid is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7-epi-12-hydroxyjasmonic acid can be synthesized from (+)-7-isojasmonic acid. 7-epi-12-hydroxyjasmonic acid can also be synthesized into N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine and methyl tuberonate. 7-epi-12-hydroxyjasmonic acid can be found in potato, which makes 7-epi-12-hydroxyjasmonic acid a potential biomarker for the consumption of this food product.
Methyl dihydroepijasmonate
Flavouring compound [Flavornet]
1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Crotetamide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3187
N-Desmethylpheniramine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3420 CONFIDENCE standard compound; INTERNAL_ID 2122
N-Isopropyl-N-phenyl-p-phenylenediamine
D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 2425
(2R*,4S*,5E)-2-hydroxy-7-isopropyl-4-methyl-5-nonen-4-olide|(2R*,4S*,5E,7xi)-5-(3-Ethyl-4-methyl-1-pentenyl)-4,5-dihydro-3-hydroxy-5-methyl-2(3H)furanone
(E)-1,8-Hexadecadiene-10,12,14-triyn-7-ol|1,8E-hexadecadien-10,12,14-triine-7-ol
(2R*)-1-[(1S*,4S*,5S*,8R*)-1,8-dimethyl-2,7-dioxabicyclo[3.2.1]oct-4-yl]-2-methylbutan-1-one|colomitide A
(1R,4aS,5R,7R,7aR)-1-ethoxy-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methylcyclopenta[c]pyran-4-carbaldehyde|incarvilleaol
Tuberonic acid
An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group.
(6E,9R,10R)-4,5-9,10-tetrahydro-9-hydroxy-10-propyl-3H-oxecin-2,8-dione|(8R,9R)-8-hydroxy-7-oxo-9-propyl-5-nonen-9-olide|staganolide A|stagonolide|stagonolide A
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one|(4S,6R)-dihydroxy-3-[E-3-hydroxy-3-methyl-but-1-enyl]-6-methyl-cyclohex-2-en-1-one|acremine A
2alpha,6alpha-dihydroxy-5-[(E)-3-hydroxy-3-methyl-1-butenyl]-6-methyl-4-cyclohexen-3-one
(2E,9Z)-2,9,15-Hexadecatriene-4,6-diynal|2t.9c.15-Hexadecatrien-4.6-diin-1-al
(3R,8aS)-3-(butan-2-yl)-hexahydro-2-hydroxypyrrolo[1,2-a]pyrazine-1,4-dione|callyspongidipeptide A
Senkyunolide J
3alpha-Butyl-4,5,6,7-tetrahydro-6alpha,7beta-dihydroxy-1(3H)-isobenzofuranone is a natural product found in Apium graveolens with data available.
(3S,5R,6R)-5,6-dihydro-5-hydroxy-3,6-epoxy-pi-ionol|5,6-Dihydro 5-hydroxy-3,6-epoxy-beta-ionol
4R-hydroxy-4-(9S-hydroxy-12-methylhexan-6-yl)-3-methylcyclopent-2-enone
7-Hydroxy-3-(1-methylpropyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4(2H,3H)-dione
(2R,3R,4S,5R)-3-hydroxy-2,4-dimethyl-5-[(S,Z)-3-methylpentenyl]-tetrahydro-pyranone
1,5,5-Trimethyl-6-(3,4-dihydroxybutyl)-1-cyclohexene-3-one
(-)-(5R,6R)-5,6-dihydroxy-5,6-dihydro-beta-ionone|5,6-dihydroxy-5,6-dihydro-beta-jonone|dihydroxy-beta-ionone
methyl 3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
3alpha,5beta-dihydroxy-4alpha,11-epoxybisnorcadinane
1-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6-isobutyl-1H-pyrazin-2-one|Muta-aspergillinsaeure
Blumenol B
9-Epiblumenol B is a sesquiterpenoid. 9-Epiblumenol B is a natural product found in Phyllanthus polyphyllus and Phyllanthus lawii with data available.
Methyl_dihydrojasmonate
Methyl 2-(3-oxo-2-pentylcyclopentyl)acetate is a lipid. It is functionally related to a jasmonic acid. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
Hedione
Acquisition and generation of the data is financially supported in part by CREST/JST. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
N-isopropyl-N-phenyl-p-phenylenediamine
D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; INTERNAL_ID 4137
Methyl dihydrojasmonate
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
2-(7-hydroxy-6-methyloctyl)-2H-furan-5-one
2-(6-hydroxy-6-methyloctyl)-2H-furan-5-one
NPE_227.1543_9.6
CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1100
C12H18O4_{(1R,2R)-2-[(2Z)-5-Hydroxy-2-penten-1-yl]-3-oxocyclopentyl}acetic acid
C12H18O4_2-Cyclohexen-1-one, 4,6-dihydroxy-3-[(1E)-3-hydroxy-3-methyl-1-buten-1-yl]-6-methyl-, (4R,6S)
C13H22O3_2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethyl
pentobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
amobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
DIHYDROJASMONIC ACID, METHYL ESTER
Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1]. Methyl dihydrojasmonate is a fragrance ingredient with a jasmine-like odor, used in many fragrance mixtures[1].
4-Amino-1-benzylpiperidine dihydrochloride hydrate
N-(TERT-BUTYL)-3-ISOPROPYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
2-CYANOMETHYL-MORPHOLINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 4-azidopiperidine-1-carboxylate(SALTDATA: FREE)
(R)-3-CYCLOPROPYLAMINO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl 4-(3-hydroxypropyl)-1H-imidazole-1-carboxylate
tert-butyl 3,7-diazabicyclo[3.3.1]nonane-3-carboxylate
tert-butyl (4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate
Benzenamine,N,N-dimethyl-4-[2-(2-pyridinyl)diazenyl]-
TERT-BUTYL 5-AMINOHEXAHYDROCYCLOPENTA[C]PYRROLE-2(1H)-CARBOXYLATE
tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate
tert-Butyl 3-(cyclopropylamino)pyrrolidine-1-carboxylate
2,7-Diazaspiro[4.4]nonane-2-carboxylic acid tert-butyl ester
tert-butyl 2,5-diazaspiro[3.5]nonane-2-carboxylate
TERT-BUTYL 1,6-DIAZASPIRO[3.5]NONANE-1-CARBOXYLATE
tert-Butyl (R)-2-(azidomethyl)-1-pyrrolidinecarboxylate
tert-butyl 2-amino-6-azaspiro[3.4]octane-6-carboxylate
8-Amino-5-aza-spiro[2.5]octane-5-carboxylic acid tert-butyl ester
[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl] acetate
tert-butyl (2S)-2-(azidomethyl)pyrrolidine-1-carboxylate
1-propyl-2,3-dimethylimidazolium tetrafluoroborate
tert-butyl 3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
Propanedioic acid, 2-cyclopenten-1-yl-, diethyl ester
2-(3,6-Dihydro-2H-thiopyran-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE-6(2H)-CARBOXYLATE
1,4-Dioxaspiro[4.5]dec-7-ene-8-carboxylic acid, 7-Methyl-, ethyl ester
tert-butyl 3,9-diazabicyclo[4.2.1]nonane-9-carboxylate
TERT-BUTYL HEXAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-2(3H)-CARBOXYLATE
4-Cyclohexene-1,2-dicarboxylicacid, 1,2-diethyl ester, (1R,2S)-rel-
Tert-Butyl3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
2-[3-(Acetyloxy)-1-methylpropyl]-5-methylcyclohexanone
5-OXO-1,6-DIAZASPIRO[3.4]OCTANE-1-CARBOXYLIC ACID,1,1-DIMETHYLETHYL ESTER
methyl 2-methylprop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
5-Amino-1-(2,4-dimethylphenyl)-3-methyl-1H-pyrazole-4-carbonitrile
Methyl 8-oxo-3,9-diazaspiro[5.5]undecane-3-carboxylate
1-(1,3-BENZODIOXOL-5-YL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE
3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-acrylic acid ethyl ester
tert-Butyl 2,6-diazaspiro[4.4]nonane-2-carboxylate
1,6-Diaza-spiro[3.5]nonane-6-carboxylic acid tert-butyl ester
1,7-Diazaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
2,5-Diazaspiro[3.5]nonane-5-carboxylic acid tert-butyl ester
5-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
tert-butyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
6H-Pyrrolo[2,3-c]pyridine-6-carboxylic acid, octahydro-, 1,1-dimethylethyl ester
(1S,3S,5S)-3-(Aminocarbonyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester
Thiourea,N-[5-(1H-imidazol-4-yl)pentyl]-N-methyl- (9CI)
tert-butyl octahydrocyclopenta[c]pyrrol-4-ylcarbamate
TERT-BUTYL 3-AMINO-3A,4,6,6A-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-5(1H)-CARBOXYLATE
tert-butyl 3,9-diazabicyclo[3.3.1]nonane-9-carboxylate
1-(5,5,8a-Trimethyl-3,5,6,7,8,8a-hexahydro-1,2-benzodioxin-3-yl)ethanol
6-[(1E)-3-Hydroxy-1-butenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
2,6,6-Trimethyl-1,2-epoxy-1-(4-hydroxy-2,3-epoxybutan-1-yl)cyclohexane
tert-Butyl (6-aminospiro[3.3]heptan-2-yl)carbamate
7-Oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid tert-butyl ester
tert-butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate
1-(2-CHLORO-PHENYL)-N1,N1-DIETHYL-ETHANE-1,2-DIAMINE
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, ethyl ester
tert-Butyl 8-aza-bicyclo[3.2.1]octan-3-ylcarbamate
2-(Piperidin-1-yl)-2,3-dihydro-1H-indene-2-carbonitrile
Cordysinin A
A pyrrolopyrazine that is hexahydropyrrolo[1,2-a]pyrazine-1,4-dione substituted by a hydroxy group at position 6 and a 2-methylpropyl group at position 3. It has been isolated from the mycelia of Cordyceps sinensis.
Cyclopentaneacetic acid, 3-oxo-2-pentyl-, methyl ester, (1S-cis)-
Pirlindole
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000970 - Antineoplastic Agents
(1S,2Z)-5-amino-1-(3-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)pent-2-en-1-ol
2-[2-[(Z)-4-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
4-(hydroxymethyl)-3-(5-methylhexanoyl)-5H-furan-2-one
(1R)-3-Oxo-2beta-[(Z)-4-hydroxy 2-pentenyl]cyclopentane-1alpha-acetic acid
2-[(E)-[(4E)-4-(diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine
1,2,3,4,8,9,10,11-octahydro-[1,4]diazepino[6,7,1-jk]carbazole
Fujikurin D
A pyrandione that is dihydro-2H-pyran-2,4(3H)-dione in which the hydrogens at positions 3, 5 and 6 are substituted by 1-hydroxy-2-methylbutylidene, methyl, and methyl groups, respectively. It is a natural product isolated from the fungus Fusarium fujikuroi.
4-Trimethylsilylmethyl-3-cyclohexene-1-carboxylic acid methyl ester
3-Trimethylsilylmethyl-3-cyclohexene-1-carboxylic acid methyl ester
2-[2-[(E)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
Bicyclo[3.3.0]octan-3-one, 6-methyl-6-trimethylsilyloxy-
Methyl (1S,2R,4S,(4A)R,(8A)R)-decahydro-4-hydroxy-2-methylnaphthalen-1-carboxylate
Methyl(3,4-epoxy-4-trimethylsilylmethylcyclohexan-1-yl) ketone
4-Hydroxy-4-[(E)-3-hydroxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one
methyl 2-[3-hydroxy-2-(pent-2-en-1-yl)cyclopentyl]acetate
6-[(2r)-4-hydroxypentan-2-yl]-4-methoxy-3-methylpyran-2-one
6-hydroxy-12-methyl-1-oxacyclododec-3-ene-2,5-dione
(4s,5s)-4-hydroxy-4-[(1e,3r)-3-hydroxybut-1-en-1-yl]-3,3,5-trimethylcyclohexan-1-one
(4s)-4-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(2e,7s,8s,11e)-7,8-dihydroxytrideca-2,11-dien-6-one
3-ethyl-1-(2-methoxy-2-oxoethyl)cyclohex-2-ene-1-carboxylic acid
(1r,5r)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carboxylic acid
(1r,3s)-6-[(3r)-3-hydroxybut-1-en-1-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol
4-hydroxy-3,5-dimethyl-6-(3-methylpent-1-en-1-yl)oxan-2-one
(3s,8as)-1,7-dihydroxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
5-ethyl-4-hydroxy-3-methoxy-5-methyl-2-(sec-butyl)cyclopent-2-en-1-one
4-hydroxy-4-(3-hydroxybut-1-en-1-yl)-3,3,5-trimethylcyclohexan-1-one
5,8-dihydroxy-12-methyl-1-oxacyclododeca-3,6-dien-2-one
6-hydroxy-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
4-(3-hydroxybut-1-en-1-yl)-3,5,5-trimethylcyclohex-3-ene-1,2-diol
(4s,6r)-6-hydroxy-4-[(3r)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
(1r,4as,5r,7r,7ar)-1-ethoxy-5-hydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carbaldehyde
(2e,5e,7s)-8-methoxy-3,5,7-trimethyl-8-oxoocta-2,5-dienoic acid
(5r)-3-[(1r)-1-hydroxyoctyl]-5-methyl-5h-furan-2-one
(1R, 2R)-5'-hydroxyjasmonic acid
{"Ingredient_id": "HBIN003055","Ingredient_name": "(1R, 2R)-5'-hydroxyjasmonic acid","Alias": "(1r,2r)-5'-hydroxyjasmonicacid","Ingredient_formula": "C12H18O4","Ingredient_Smile": "C1CC(=O)C(C1CC(=O)O)CC=CCCO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42365;10268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol
{"Ingredient_id": "HBIN003568","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7405","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)
{"Ingredient_id": "HBIN003571","Ingredient_name": "2-(1-ethoxy-2-hydroxy)propyl-4-methoxyphenol(i)","Alias": "NA","Ingredient_formula": "C12H18O4","Ingredient_Smile": "CCOC(C1=C(C=CC(=C1)OC)O)C(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin
{"Ingredient_id": "HBIN005709","Ingredient_name": "2-hydroxy-1,1,10-trimethyl-6,9-epidioxydecalin","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1(C(CCC2(C13CCC(C2)OO3)C)O)C","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40808","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "538297","DrugBank_id": "NA"}
(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one
{"Ingredient_id": "HBIN006530","Ingredient_name": "(2r,6r,9r)-2,9-dihydroxy-4-megastigmen-3-one","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC1=CC(=O)C(C(C1CCC(C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5957","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009657","Ingredient_name": "(3s,5r,6s,7 e,9r)-5,6-epoxy-3,9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7078","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "23251169","DrugBank_id": "NA"}
(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene
{"Ingredient_id": "HBIN009732","Ingredient_name": "(3S, SR, 6S, 7E,9R)-5, 6-epoxy-3, 9-dihydroxy-7-megastigmene","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=CC12C(CC(CC1(O2)C)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41392","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
annuionone e
{"Ingredient_id": "HBIN016243","Ingredient_name": "annuionone e","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(CCC1C2(CC(=O)CC1(OC2)C)C)O","Ingredient_weight": "226.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1336","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101260349","DrugBank_id": "NA"}
annuionone g
{"Ingredient_id": "HBIN016245","Ingredient_name": "annuionone g","Alias": "NA","Ingredient_formula": "C13H22O3","Ingredient_Smile": "CC(C=C=C1C(CC(CC1(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
