Exact Mass: 254.1357
Exact Mass Matches: 254.1357
Found 500 metabolites which its exact mass value is equals to given mass value 254.1357,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thiamylal
Thiamylal is only found in individuals that have used or taken this drug. It is a barbiturate that is administered intravenously for the production of complete anesthesia of short duration, for the induction of general anesthesia, or for inducing a hypnotic state. (From Martindale, The Extra Pharmacopoeia, 30th ed, p919)Thiamylal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Midodrine
Midodrine is only found in individuals that have used or taken this drug. It is an ethanolamine derivative that is an adrenergic alpha agonist. It is used as a vasoconstrictor agent in the treatment of hypotension. [PubChem]Midodrine forms an active metabolite, desglymidodrine, that is an alpha1-agonist, and exerts its actions via activation of the alpha-adrenergic receptors of the arteriolar and venous vasculature, producing an increase in vascular tone and elevation of blood pressure. Desglymidodrine does not stimulate cardiac beta-adrenergic receptors. C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Midodrine is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.
Chanoclavine-I aldehyde
An enal resulting from the oxidation of the primary alcohol group of chanoclavine-I to the corresponding aldehyde.
(+)-Setoclavine
(+)-Setoclavine is found in cereals and cereal products. (+)-Setoclavine is an alkaloid from ergot found on Pennisetum typhoideum (pearl millet). Alkaloid from ergot found on Pennisetum typhoideum (pearl millet). (+)-Setoclavine is found in cereals and cereal products.
Homoanserine
Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008) [HMDB] Homoanserine (N-(4-Aminobutyryl)-L-histidine) is a dipeptide identified in the brain and muscles of mammals. (PMID 3780724, 6078589) It has been found that homoanserine is not merely deposited in skeletal muscles but that is actively synthesized by muscle cells in culture. (PMID 8307008).
L-Furosine
L-Furosine is an analytical indicator of heat treatment damage or storage deterioriation in milk, dried foods, pasta, tomato paste and eggs. Acid hydrolysis product of the Amadori compoun
L-Pyridosine
L-Pyridosine is found in milk and milk products. Acid hydrolysis product of heated milk. Marker for heat treatment of milk and other foodstuff
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate is a constituent of the famine food Pandanus odoratissimus. Constituent of the famine food Pandanus odoratissimus.
Valylhistidine
Valylhistidine is a dipeptide composed of valine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Histidylvaline
Histidylvaline is a dipeptide composed of histidine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Isoeugenol benzyl ether
Isoeugenol benzyl ether is a flavouring ingredien Flavouring ingredient
Isoeugenyl benzyl ether
Isoeugenyl benzyl ether is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Pyrraline
Pyrraline is Maillard produced, obtained by reaction between
4-[(2-Methyl-3-furanyl)thio]-5-nonanone
4-[(2-Methyl-3-furanyl)thio]-5-nonanone is a flavouring ingredient. Flavouring ingredient
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone is a flavouring ingredient. Flavouring ingredient
(S)-Argpyrimidine
(S)-Argpyrimidine is found in alcoholic beverages. (S)-Argpyrimidine is found in beer.
Aldosine
Aldosine is found in animal foods. Aldosine is a hydrolysis product from the aldol crosslinks of bovine elastin and collagen. Hydrolysis product from the aldol crosslinks of bovine elastin and collagen. Aldosine is found in animal foods.
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)phenol
Cholanthrene
4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Elymoclavine
Isolysergol
Pimonidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
3,10a-Dihydrobenzo[a]pyrene
2-(2-Hydroxy-4-methylphenyl)-3-(2-methylpropoxy)-1,2-propanediol
Aspergillide B
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
(E)-5-[(3-Indolyl)methylene]-2-imino-1,3-dimethyl-4-imidazolidinone
N-methyl-N-[3-phenyl-3-(pyridin-2-yl)propyl]formamide
(6S,7S,11R)-2-chloro-3,7,11-trimethyl-10-methylidenespiro[5.5]undec-2-en-7-ol
1-(4,6-dihydroxy-2,3-dimethoxyphenyl)-2-methyl-1-butanone
erythro-(1,3Z,11E)-tridecatriene-7,9-diyne-5,6-diyl diacetate
4,5-dihydro4beta.5alpha-dihydrooxyoblongolide|oblongolide R
6alpha-acetyl-4beta,5beta-dimethyl-1(10)alpha-epoxy-2beta,7beta-dihydroxydecalin|laevinol G
(10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-en-7-yl)methyl acetate|trichocladinol A
(2R,4aS,5R,7aR,4R)-(-)-7a-methyl-botryodioxanenone
5-Deoxy-3-C-hydroxymethyllyxose,9CI-Benyzyl glycoside
(3E,9Z)-6-Hydroxy-7-chloro-pentadeca-3,9-dien-1-yne|12, 13-Dihydro-(3E, 6S, 7S, 9Z, 12Z)-7-Chloro-3, 9, 12-pentadecatrien-1-yn-6-ol
Lysergol
An alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Ergot alkaloids, Clavine alkaloid
(Z)-2-demethyl-3-N-methylaplysinopsin|(Z)-4-((1H-indol-3-yl)methylene)-1-methyl-2-(methylamino)-1H-imidazol-5(4H)-one
3-Hydroxy-4-methyl-6-(1-methyl-1,2-dihydroxyethyl)-4,4a,5,6,7,8-hexahydronaphthalene-2(3H)-one
(6S,13R)-6,13-dihydroxy-2E,4E,8E-tetradecatrienoic acid
19-nor-dasycarpidan-1-one|Des-N-methyl-dasycarpidon|des-N-Methyl-dasycarpon|N-Nordasycarpidone.
2-[2-Oxo-3-(3-oxobutyl)-4-methylcyclohexyl]propanoic acid
(2S,4R,4aR,5R,7aS,4R)-(+)-4-epi-methylbotryodioxanenone
1,2,3,3,4,4,5,5,6,6-Decahydro[2,3-bipyridine]-6,6-dicarboxylic acid
3-Methoxycarbonyl-5-propyl-2-furanpropionsaeure-methylester
6E,8E-Hexadecadien-10,12,14-triinsaeure-methylester|Me ester-(all-E)-6,8-Hexadecadiene-10,12,14-triynoic acid
2-isobutyryloxy-tridec-3E-ene-5,7,9,11-tetrayn-1-ol
PIMONIDAZOLE
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents
1-[2,4-dihydroxy-3-(2-hydroxyethyl)-6-methoxyphenyl]butan-1-one
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
(3E,5E)-2-(4-methoxy-4-oxobutyl)nona-3,5-dienoic acid
NPE_255.1491_11.6
CONFIDENCE Identification confirmed with Reference Standard synthesized at Eawag (Level 1); INTERNAL_ID 1106
NPE_255.1491_11.0
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1107
C14H22O4_(2E)-2-(Hydroxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid
C14H22O4_3-Hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyloctahydrocyclopropa[e]inden-2(1H)-one
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_major
3-hydroxy-1a,5-bis(hydroxymethyl)-5,6b-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopropa[e]inden-2-one_minor
(E)-2-(hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid_major
(2R,3R,6R)-5-[(1E,3E)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexan-1-one_major
methyl 4-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclopentyl]-butanoate
His-val
A dipeptide formed from L-histidine and L-valine residues.
Val-his
A dipeptide formed from L-valine and L-histidine residues.
Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate
Setoclavine
4,4,5,5-Tetramethyl-2-(naphthalen-1-yl)-1,3,2-dioxaborolane
3-HYDROXY-2-METHYL-1-PHENYL-3-P-TOLYL-PROPAN-1-ONE
tert-butyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
2-{[(2-METHYLPHENYL)(PHENYL)METHOXY]METHYL}OXIRANE
2-Propenal,3-phenyl-, 2-(1,6-dihydro-4-methyl-6-oxo-2-pyrimidinyl)hydrazone
Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester
1-(3-ethoxy-3-oxopropyl)bicyclo[2.2.2]octane-4-carboxylic acid
1-[(4-ethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
1-[(3,4-dimethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
1-[(2,5-dimethylphenyl)sulfonyl]piperazine(SALTDATA: FREE)
4-(2-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
1-(cyclopentylmethyl)piperidin-4-amine,dihydrochloride
2-(2-(DIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
tert-butyl N-[2-amino-2-(2-fluorophenyl)ethyl]carbamate
tert-butyl 1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
1H-PYRROLE-2-CARBOXYLIC ACID, 4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-1-METHYL-, METHYL ESTER
DL-3-(3,4-Dimethoxyphenyl)-2-methyl-2-hydrazine propionic acid
(5r)-2,2,3-trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride
Decahydro-2,6-naphthalenedicarboxylic Acid Dimethyl Ester
3-(4-HYDROXY-3,5-DIMETHOXY-PHENYL)-PROPIONIC ACID ETHYL ESTER
5,6,7,8-tetradeuterio-2-methyl-3-(2-methylphenyl)quinazolin-4-one
butyl prop-2-enoate,prop-2-enyl 2-methylprop-2-enoate
tert-butyl 6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
4-Piperidinamine,N,N-dimethyl-1-(phenylmethyl)-, hydrochloride (1:2)
ethyl 5-(2-hydroxybutan-2-yl)-2-propyl-1H-imidazole-4-carboxylate
2-(4-METHYL-PIPERAZINE-1-CARBONYL)-CYCLOHEXANECARBOXYLIC ACID
4-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-[(4-butylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
1,7-Diazaspiro[4.5]decane-1-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
tert-butyl 2-oxo-1,8-diazaspiro[4.5]decane-8-carboxylate
ethyl 3-methyl-3-(4-oxopiperidin-1-yl)pyrrolidine-1-carboxylate
4-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
tert-Butyl 3-((dimethylamino)methylene)-4-oxopiperidine-1-carboxylate
4-[(3-methylpiperidin-1-yl)sulfonyl]aniline(SALTDATA: FREE)
Benzamide,3-amino-N-(2,4-dimethylphenyl)-4-methyl-
TERT-BUTYL (1-CYANO-3-CYCLOBUTYL-1-HYDROXYPROPAN-2-YL)CARBAMATE
4-fluoro-5-(4-methylpiperazin-1-yl)-2-nitroaniline
tert-butyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
tert-butyl 3-methoxy-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carboxylate
(1S,5R,6S)-Ethyl 5-(pentan-3-yl-oxy)-7-oxa-bicyclo[4.1.0]hept-3-ene-3-carboxylate
Benzene,2-methoxy-1-(phenylmethoxy)-4-(2-propen-1-yl)-
2-(5-AMINO-[1,3,4]OXADIAZOL-2-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-(DIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
ETHYL 4-(2-METHOXYPROPAN-2-YL)-2-PROPYL-1H-IMIDAZOLE-5-CARBOXYLATE
tert-butyl 7,9-dioxo-2,6-diazaspiro[3.5]nonane-2-carboxylate
3-Trifluoromethyl-piperazine-1-carboxylic acid tert-butyl ester
tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate
3,4-DIFLUORO-2-METHYLPHENYL BORONIC ACID PINACOL ESTER
1-Chloro-2-fluoro-4-(trans-4-propylcyclohexyl)benzene
N-Cyclopropyl-4-(4-piperidinyl)-2-pyriMidinaMine hydrochloride
(trans,trans)-[1,1-Bicyclohexyl]-4,4-dicarboxylic acid
2-(3-(difluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(6-methoxynaphthalen-2-yl)ethynyl-trimethylsilane
(5S)-2,2,3-TRIMETHYL-5-PHENYLMETHYL-4-IMIDAZOLIDINONEMONOHYDROCHLORIDE
4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
4-(1-isopropyl-1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-ol
6,8-dimethyl-2-pyrrolidin-1-ylquinoline-3-carbaldehyde
2-(3,5-dimethoxyphenyl)propan-2-yl N-aminocarbamate
2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-4(3H)-one
Argpyrimidine
A member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers.
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]formamide
Butanilicaine
N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local > N01BB - Amides C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
1-(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2,5-dione
2-(Hydroxymethyl)-3-[3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Aspergillide A
A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).
Merulin A, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethanone
N-(1,7-dimethyl-3-pyrazolo[3,4-b]quinolinyl)acetamide
(2R/S)-2-[4-(2-Fluoro-1-hydroxy-2-methylpropyl)-phenyl]-propionic acid methyl ester
(2S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
(3E,5E)-2-(4-Methoxy-4-oxobutyl)nona-3,5-dienoic acid
(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
4,6-dimethyl-N-[(E)-1-(2-methylphenyl)ethylideneamino]pyrimidin-2-amine
1,2-Di-tert-butyl-1-chloro-2-fluoro-1,2-dimethyldisilane
Dimethyl 1-methyl-1-((trimethylsilyl)oxy)propylphosphonate
Methyl 8,8-ethylenedioxy-4,4-dimethyl-1alpha,5alpha-bicyclo(3.3.0)octane-2beta-carboxylate
3-(Methoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
midodrine
C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides > C01CA - Adrenergic and dopaminergic agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Midodrine is an α1-receptor agonist, for the treatment of dysautonomia and orthostatic hypotension.
thiamylal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
pulcherriminate(2-)
An organic anion obtained by deprotonation of the two hydroxy groups of pulcherriminic acid; major species at pH 7.3.
2,6-Dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone
5-(6-carboxypiperidin-2-yl)-1,2,3,4-tetrahydropyridine-2-carboxylic acid
1-(L-norleucin-6-yl)pyrraline
An N-substituted pyrraline formed via Maillard reaction of L-lysine with glucose.
(1s,6r,9s,10r)-10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
(1s,5r,11r,14s)-14-hydroxy-5-methyl-4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one
6,7-dihydroxy-3-(2-hydroxypropyl)-7-methyl-5,6-dihydro-1h-isochromen-8-one
5-[1-(3,5-dihydroxy-2,3-dimethylcyclopentyl)ethylidene]-3-hydroxyfuran-2-one
8-(carboxymethyl)-2,6,6-trimethylbicyclo[3.2.1]octane-1-carboxylic acid
[(4s,7r)-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaen-4-yl]methanol
6-(5-hydroxy-5-methylhexyl)-4-methoxy-3-methylpyran-2-one
4-hydroxy-6-[(6s)-6-hydroxy-5-methylheptyl]-3-methylpyran-2-one
10-hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
(2s,3e)-4-(2,4,5-trimethoxyphenyl)but-3-ene-1,2-diol
[(1r,3r,6s,7s,8s)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.0³,⁸]dec-4-en-7-yl]methyl acetate
(3r,4r)-3-[(1z)-buta-1,3-dien-1-yl]-4-[(5e)-hept-5-en-1,3-diyn-1-yl]hexane-2,5-dione
(3s,6r)-8-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-8-en-3-ol
(2z,4e)-6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-[(1e)-prop-1-en-1-yl]hepta-2,4-dienal
(2z,4e,6s,7s)-6,7-dihydroxy-7-[(2s,3r)-3-(hydroxymethyl)oxiran-2-yl]-2-[(1e)-prop-1-en-1-yl]hepta-2,4-dienal
(1s,2s,6r,7s,9s,10r,11r)-1,4,4-trimethyl-8,13-dioxatetracyclo[8.2.1.0²,⁶.0⁷,¹¹]tridecane-9,10-diol
6,7-dihydroxy-7-[3-(hydroxymethyl)oxiran-2-yl]-2-(prop-1-en-1-yl)hepta-2,4-dienal
5-methoxy-10,10-dimethyl-8,12-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-1(15),2,4,6,11-pentaene
1-oxo-2β-[3-butanone]-3α-methyl-6β-[2-propanoicacid]-cyclohexane
{"Ingredient_id": "HBIN002941","Ingredient_name": "1-oxo-2\u03b2-[3-butanone]-3\u03b1-methyl-6\u03b2-[2-propanoicacid]-cyclohexane","Alias": "NA","Ingredient_formula": "C14H22O4","Ingredient_Smile": "CC1CCC(C(=O)C1CCC(=O)C)C(C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16286","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2-hydroxy-5-(hydroxymethyl)-1,7-dimethylphenanthrene
{"Ingredient_id": "HBIN013933","Ingredient_name": "9,10-dihydro-2-hydroxy-5-(hydroxymethyl)-1,7-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C17H18O2","Ingredient_Smile": "NA","Ingredient_weight": "254.32","OB_score": "NA","CAS_id": "199597-53-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7308","PubChem_id": "NA","DrugBank_id": "NA"}
