Exact Mass: 272.1233
Exact Mass Matches: 272.1233
Found 500 metabolites which its exact mass value is equals to given mass value 272.1233,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
sempervirin
Sempervirine is a member of beta-carbolines. Sempervirene is a natural product found in Gelsemium sempervirens, Mostuea brunonis, and Gelsemium elegans with data available.
ACMC-20n6an
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a 1-benzopyran. 2,2-Dimethyl-8-prenylchromene 6-carboxylic acid is a natural product found in Piper aduncum and Piper hispidum with data available.
Sotalol
Sotalol is only found in individuals that have used or taken this drug. It is an adrenergic beta-antagonist that is used in the treatment of life-threatening arrhythmias (PubChem). Sotalol has both beta-adrenoreceptor blocking (Vaughan Williams Class I) and cardiac action potential duration prolongation (Vaughan Williams Class I) antiarrhythmic properties. Sotalol is a racemic mixture of d- and l-sotalol. Both isomers have similar Class I antiarrhythmic effects, while the l-isomer is responsible for virtually all of the beta-blocking activity. Sotalol inhibits response to adrenergic stimuli by competitively blocking β1-adrenergic receptors within the myocardium and β2-adrenergic receptors within bronchial and vascular smooth muscle. The electrophysiologic effects of sotalol may be due to its selective inhibition of the rapidly activating component of the potassium channel involved in the repolarization of cardiac cells. The class II electrophysiologic effects are caused by an increase in sinus cycle length (slowed heart rate), decreased AV nodal conduction, and increased AV nodal refractoriness, while the class III electrophysiological effects include prolongation of the atrial and ventricular monophasic action potentials, and effective refractory period prolongation of atrial muscle, ventricular muscle, and atrio-ventricular accessory pathways (where present) in both the anterograde and retrograde directions.
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7-Hydroxymethyl-12-methylbenz[a]anthracene
This compound belongs to the family of Phenanthrenes and Derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
7,12-Dimethylbenz[a]anthracene 5,6-oxide
This compound belongs to the family of Dibenzoxepines. These are compounds containing a dibenzoxepine moiety, which consists of two benzene connected by an oxazepine ring.
Procaine 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
(S)-Verimol F
(S)-Verimol F is found in fruits. (S)-Verimol F is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). (S)-Verimol F is found in fruits.
Decarbamoylneosaxitoxin
Decarbamoylneosaxitoxin is isolated from the crab Zosimus aeneus. Isolated from the crab Zosimus aeneus.
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
Maillard reaction product from xylose and tryptophan. Maillard reaction product from xylose and tryptophan
Camonagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent
Fumarylcarboxamido-L-2,3-diaminopropionyl-L-alanine
threo-3-(4-Hydroxy-3,5-dimethoxyphenyl)-3-ethoxypropane-1,2-diol
Linderene acetate
Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.948 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.944 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.946
6-Acetoxy-piliformic-acid
[Raw Data] CBA55_6-Acetoxy-pi_pos_50eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_40eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_30eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_20eV.txt [Raw Data] CBA55_6-Acetoxy-pi_pos_10eV.txt
12,13-dihydroxy-3,8,11,13-celastratrtraen-7-one|celahypodiol
3,5-Dimethyl-4-(methoxymethyl)-9-methoxy-5,6-dihydronaphtho[2,3-b]furan
Tensyuic acid C
A tensyuic acid that is tensyuic acid B in which the methyl ester group has been replaced by an ethyl ester group. The (-) isomer. In contrast to (inactive) tensyuic acid B, tensyuic acid C shows moderate antimicrobial activity against Bacillus subtilis.
(5beta,10alpha)-12-hydroxy-3,4-seco-podocarpa-4(18),6,8,11,13-pentaen-3-oic acid|6,7-dehydromoluccanic acid
2-Thioxo-5-propyl-5-(3-hydroxy-3-methylbutyl)-2,3-dihydropyrimidine-4,6(1H,5H)-dione
11-Hydroxy-1,2,3,4-tetrahydro-1,2-propano-beta-carboline-11-carboxylic acid
2-(1,2,3-trihydroxypropyl)1,2,3,4,5,6-hexahydroxyhexane
3-Hydrocy-8-isopropyl-7-methoxy-5-methyl-2-naphthaldehyde
(+-)-Calcalol-acetat|(S)-5,6,7,8-tetrahydro-3,4,5-trimethylnaphtho[2,3-b]furan-9-yl acetate|cacalol acetate|cacalol acetete|Cacalolacetat|cacalolacetate|O-Acetyl-cacalol
3-hydroxy-8-acetoxypentadeca-1,9,14-trien-4,6-diyne|8-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol|8-Acetoxy-pentadeca-1,6c,14-trien-9,11-diin-13-ol
7,10-Dihydroxy-8,9-epoxy-heptadec-1-en-11,13,15-triin
(1S,5S,8S)-5-hydroxy-8-(4-hydroxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone A
5aalpha,6,9,9abeta,10-pentahydro-10beta-hydroxy-7-methylanthra[1,2-d][1,3]dioxol-5-one
2-acetyl-9-methoxy-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine A
(E)-2-ethylidene-11-hydroxy-9-methoxy-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5(11aH)-one|boseongazepine B
(+)-(alphaR)-alpha-methoxy-2?,4?-dihydroxydihydrochalcone
1alpha,3beta-dihydroxy-4alpha-(3?,4?-dihydroxyphenyl)-1,2,3,4-tetrahydronaphthalene|cyperotundol
2-(2,4-dihydroxy-5-methylphenyl)-2-(3-hydroxy-4-methylphenyl)propane
11-methoxycarbonyl-guaia-1(10),5(6),7(11),8(9)-tetraene-6,12-olide
3,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one|aloespanol II
1-(1-hydroxy-2-methoxy)ethyl-4-methoxy-beta-carboline|1-(1-Hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline
3-(1,1-dimethyl-allyl)-7-methoxy-2-oxo-2H-chromene-6-carbaldehyde|3-(1,1-Dimethylallyl)-6-formyl-7-methoxy-cumarin
(-)-elecanacin|(-)-elecanacinY(2R,3aR,4aR,10aR)-6-methoxy-2-methyl-1,2,4,4a-tetrahydro-10H-naphtho[2,3:2,3]cyclobuta[1,2-b]furan-5,10(3aH)-dione|elecanacin
2,3,4,13-tetrahydro-1H-benz[g]indolo[2,3-a]quinolizine|sempervirine
(1,8E,13Z,16)-heptadecatetraene-4,6-diyne-3,11,12-triol
4-Hydroxy-5-isopropyl-3-methoxy-7-methyl-2H-naphtho[1,8-bc]furan-2-one
2, 5-Di-Me ether-1-(3, 5-Dihydroxy-2-methylphenyl)-2-(2-hydroxypyenyl)ethane|3-hydroxy-2,5-dimethoxy-2-methylbibenzyl
4-[2-(3,5-dimethoxyphenyl)ethenyl]benzene-1,2-diol
(-)-(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-15-acetoxytubipofuran|(4aR,8aR)-4,4a,8a,9-tetrahydro-3,8a-dimethylnaphtho[2,3-b]furan-5-methanol acetate|15-acetoxytubipofuran
3-Hydroxy-2-(5-phenylpentanoyl)-2-cyclohexen-1-one
(all-E)-3-Hydroxy-7,9,15-heptadecatriene-11,13-diynoic acid
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Tensyuic acid D
A tensyuic acid that is tensyuic acid B in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.
2-(4-Hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-6-ol
2,7-dihydroxy-4,8-dimethoxy-9,10-dihydrophenanthrene
1-[4-(benzyloxy)-2-hydroxy-3-methoxyphenyl]ethan-1-one
Isoeleutherin
[Raw Data] CBA07_Isoeleutherin_pos_50eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_40eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_30eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_20eV_000004.txt [Raw Data] CBA07_Isoeleutherin_pos_10eV_000004.txt Isoeleutherin is a naphthopyran derivative isolated from E. americana Merr. Et Heyne with anti-fungal, anti-viral, and anti-tumor activities. Isoeleutherin plays an important role in selective modulation of T helper cell-mediated immune responses[1].
9JHS2AVR43
(-)-vestitol is a methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively. It has a role as a plant metabolite. It is a member of hydroxyisoflavans and a methoxyisoflavan. It derives from a hydride of a (R)-isoflavan. (-)-Vestitol is a natural product found in Pterocarpus soyauxii, Dalbergia sissoo, and other organisms with data available. See also: Glycyrrhiza uralensis Root (part of). A methoxyisoflavan that is (R)-isoflavan substituted by a methoxy group at position 4 and hydroxy groups at positions 7 and 2 respectively.
4-Hydroxyphenethylanisate
4-methoxybenzoic acid 2-(4-hydroxyphenyl)ethyl ester is a methoxybenzoic acid. 2-(4-Hydroxyphenyl)ethyl 4-methoxybenzoate is a natural product found in Euphorbia micractina, Hansenia forbesii, and other organisms with data available.
Lindeneyl acetate
Linderene acetate is a natural product found in Lindera chunii with data available. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1]. Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor[1].
Vestitol
The S-enantiomer of vestitol. Vestitol is a member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent, a plant metabolite and a phytoalexin. It is an aromatic ether, a member of hydroxyisoflavans and a methoxyisoflavan. Vestitol is a natural product found in Lotus japonicus, Medicago rugosa, and other organisms with data available. A member of the class of hydroxyisoflavans that is isoflavan substituted by hydroxy groups at positions 7 and 2 and a methoxy group at position 4. Isolated from Glycyrrhiza uralensis, it exhibits anti-inflammatory activity.
sotalol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents C93038 - Cation Channel Blocker CONFIDENCE Reference Standard (Level 1)
1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PYR_273.1235_11.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1704
C16H16O4_2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-4-methoxyphenyl)
C16H16O4_Benzoic acid, 2-hydroxy-4-methoxy-6-(2-phenylethyl)
4-{9H-pyrido[3,4-b]indol-1-yl}butane-1,2,4-triol
2(1H)-Pyrimidinone,5-acetyl-4-(3-ethenyl-2-hydroxyphenyl)-3,4-dihydro-6-methyl-(9CI)
(R)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
(+)-(s)-n-[4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide
4-AMINO-6-CYANO-3(2H)-QUINAZOLINECARBOXYLIC ACID-1,1-DIMETHYLETHYL ESTER
(6-HYDROXY-5-(TETRAHYDRO-2H-PYRAN-2-YL)NAPHTHALEN-2-YL)BORONIC ACID
4-(3-(2-METHOXY-4-METHYLPHENYL)PROPYL)BENZENE-1,3-DIOL
3-methoxy-2-[(3-methoxyphenyl)methoxy]benzaldehyde
2-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)oxazole
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]-1,3-oxazole
Bunaprolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
4,4,5,5-TETRAMETHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
4,4,5,5-TETRAMETHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
ethyl 4-(aminomethyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate,hydrochloride
2-[5-(4-Amino-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
4,4,5,5-TETRAMETHYL-2-(2-(TRIFLUOROMETHYL)PHENYL)-1,3,2-DIOXABOROLANE
4-[(1-PHENYL-ETHYLAMINO)-METHYL]-BENZONITRILE HYDROCHLORIDE
ethyl prop-2-enoate,N-(hydroxymethyl)prop-2-enamide,prop-2-enamide
2,3,6,7-tetramethylnaphthalene-1,4-dicarboxylic acid
7-Benzyl-2-methyl-2,7-diazaspiro[4.4]nonane-1,3,8-trione
(S)-2-(3-BOC-AMINO)-2-OXOPIPERIDIN-1-YL)ACETIC ACID
(4-((2-(Dimethylamino)ethyl)carbamoyl)phenyl)boronic acid hydrochloride
2-(4-methyl-piperazin-1-yl)-4-oxo-4h-pyrido[1,2-a]pyrimidine-3-carbaldehyde
2-(6-fluoronaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(4-isobutyl-piperazin-1-yl)-acetic acid dihydrochloride
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate
(2-amino-2-phenyl-ethyl)-carbamic acid tert-butyl ester hydrochloride
(s)-2-(2-naphthylmethyl)succinic acid-1-methyl ester
(S)-2-(1-NAPHTHYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
(3-Amino-5-(diethylcarbamoyl)phenyl)boronic acid hydrochloride
2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,4-oxadiazole
tert-butyl 2-(2-chloroethyl)-2-cyanopiperidine-1-carboxylate
3-(furan-2-ylmethyl)-7,7-dimethyl-6,8-dihydrochromene-2,5-dione
tert-Butyl 3-(aminomethyl)benzylcarbamate hydrochloride
ethenyl acetate,2-methylidenebutanoic acid,2-methylprop-2-enoic acid
2-CHLORO-6,7,8,9-TETRAHYDRO-7-(PHENYLMETHYL)-5H-PYRIDO[2,3-D]AZEPINE
[1-(6-Ethoxy-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-aMine hydrochloride
3-PHENYL-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
Benzyl (4-aminobutyl)methylcarbamate hydrochloride (1:1)
4-(2-Hydroxy-5-methylphenylazo)acetanilide-d3, N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide-d3
L-Alanine, N-L-alanyl-3-((4-amino-1,4-dioxo-2-butenyl)amino)-, (E)-
Phoyunbene C
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory activity on nitric oxide production.
5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]-2-furohydrazide
9,10-Dimethoxy-2,4,6,7-tetrahydro-[1,3]oxazino[4,3-a]isoquinoline-1-carbonitrile
N-{2-[6-methyl-3-(methylsulfanyl)-1,2,4-triazin-5-yl]vinyl}-N-(4-methylphenyl)amine
1-[2-Hydroxy-4-(4-methoxy-benzyloxy)-phenyl]ethanone
1H-Pyrimido[1,2-a]quinoline-2-carboxylic acid, 4,4a,5,6-tetrahydro-1-oxo-, ethyl ester
(S)-norcoclaurinium(1+)
An organic cation that is the conjugate base of (S)-norcoclaurine: major species at pH 7.3.
norcoclaurine
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D000893 - Anti-Inflammatory Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents D018501 - Antirheumatic Agents
[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-6,7-diol
(2S)-3-[[(E)-4-amino-4-oxobut-2-enoyl]amino]-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoate
2,6-diamino-4-(hydroxymethyl)-5-oxido-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-5-ium-10,10-diol
(2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
(4aR,10bS)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
(4aS,10bR)-8-hydroxy-9-methoxy-3-oxo-4,4a,5,6-tetrahydro-3H-5,10b-ethanophenanthridin-5-ium
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3Z)-3-[(4-hydroxyphenyl)methylidene]-2-methyl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo-(propan-2-ylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
(3aS,4R,10aS)-2-amino-5-hydroxy-4-(hydroxymethyl)-6-imino-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purine-10,10-diol
1-(4-Hydroxy-3-methoxyphenyl)-3-(2-hydroxyphenyl)propan-1-one
(1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
6-Methoxymethyl-2,3,4-trimethoxybenzyl methyl sulfide
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)(aminoacetate
(3-Benzyloxybicyclo[4.1.0]hept-2-en-7-yl)acetic acid methyl ester
1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
1a,11b-Dihydro-4,9-dimethylbenz[a]anthra[3,4-b]oxirene
(2S,4R)-4-(9H-Pyrido[3,4-b]indol-1-yl)-1,2,4-butanetriol
N-(gamma-L-glutamyl)-2-naphthylamine
An L-glutamine derivative that is the amide obtained by formal condensation of the gamma-carboxy group of L-glutamic acid with the amino group of 2-naphthylamine.
(4aS,10bR)-noroxomaritidine(1+)
An organic cation obtained by protonation of the tertiary amino group of (4aS,10bR)-noroxomaritidine; major species at pH 7.3.
(4aR,10bS)-noroxomaritidine(1+)
An organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3.
(5e,7s)-5-ethylidene-8-hydroxy-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
(5r,6r,7s,10r)-10-chloro-6,7-dimethyl-6-(2-oxopropyl)-1-oxaspiro[4.5]decan-2-one
(5e,7s)-5-ethylidene-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),8,11,13-tetraen-2-one
(3s)-9-methoxy-3-(methoxycarbonyl)-2-methylidene-9-oxononanoic acid
7-methoxy-14-methyl-13-oxatetracyclo[8.5.0.0¹,¹².0³,⁸]pentadeca-3(8),4,6-triene-2,9-dione
(2r,3as,6s,7as)-2,3a-dihydroxy-4,4,7a-trimethyl-3-oxo-tetrahydro-1-benzofuran-6-yl acetate
(4as)-5,8-dihydroxy-1,4a-dimethyl-4,10-dihydro-3h-anthracene-2,9-dione
(2e,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate
5-ethylidene-8-hydroxy-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
methyl (2s)-2-amino-4-{[(2s)-3-(hydroxymethyl)-2,5-dihydrofuran-2-yl](methyl)carbamoyl}butanoate
(3r,4r)-4-ethenyl-3-[(2z)-3-hydroxy-3-phenylprop-2-enoyl]-4-methyloxolan-2-one
(2s,3s)-3',3',6'-trimethyl-1'h,2h-spiro[furan-3,2'-inden]-2-yl acetate
(2z,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl acetate
(4s)-4-hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9-one
6-benzyl-1-(2-hydroxyethyl)-4-oxopyridine-3-carboximidic acid
4-ethenyl-3-(3-hydroxy-3-phenylprop-2-enoyl)-4-methyloxolan-2-one
3-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenol
methyl (2e,8e)-10-{[(2e)-2-methylbut-2-enoyl]oxy}deca-2,8-dien-4,6-diynoate
(2e)-1-(2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)-3-phenylprop-2-en-1-one
(5s,7r)-9-methoxy-3,5-dimethyl-8-oxo-5h,6h,7h-naphtho[2,3-b]furan-7-carbaldehyde
methyl 2-amino-4-{[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl](methyl)carbamoyl}butanoate
4-[2-(7-methoxy-2h-1,3-benzodioxol-5-yl)ethyl]phenol
(2s)-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-5,7-diol
(3s,8s,9e)-3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
methyl (2r)-2-methyl-4-[(1s,5r,6r)-1,5,6-trihydroxy-4-methyl-2-oxocyclohex-3-en-1-yl]butanoate
4-ethenyl-6,9-dihydroxy-4-methyl-3-methylidene-2h,3ah,9bh-naphtho[1,2-b]furan-5-one
(7s)-5-acetyl-11-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(10),4,11,13-tetraen-2-one
8-hydroxy-7-methoxy-3,4,5-trimethyl-4h-naphtho[2,3-b]furan-9-one
(7s)-5-ethyl-11-hydroxy-12-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),4,8,10,12-pentaen-2-one
3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
(1r,10s,11s)-11-methyl-6-(3-methylbut-2-en-1-yl)-12,13-dioxatricyclo[8.2.1.0²,⁷]trideca-2(7),3,5,8-tetraen-3-ol
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-dimethoxyphenol
2-[6-(acetyloxy)hexyl]-3-methylidenebutanedioic acid
1-(3,5-dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-di-me ether
{"Ingredient_id": "HBIN001049","Ingredient_name": "1-(3,5-dihydroxy-2-methylphenyl)-2-(2-hydroxyphenyl)ethane; 2',5-di-me ether","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "NA","Ingredient_weight": "272.34","OB_score": "NA","CAS_id": "162411-69-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9691","PubChem_id": "NA","DrugBank_id": "NA"}
2',7-dihydroxy-4'-methoxyisoflavan; (±)-form
{"Ingredient_id": "HBIN005019","Ingredient_name": "2',7-dihydroxy-4'-methoxyisoflavan; (±)-form","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "52305-03-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8806","PubChem_id": "NA","DrugBank_id": "NA"}
2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene
{"Ingredient_id": "HBIN005022","Ingredient_name": "2, 7-dihyoxy-3, 4-dimethoxy-9, 10- dihydrophenanthrene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C2CCC3=C(C2=C1OC)C=CC(=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s),3',4'-dihydroxy-7-methoxy flavan
{"Ingredient_id": "HBIN006615","Ingredient_name": "(2s),3',4'-dihydroxy-7-methoxy flavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CCC(O2)C3=CC(=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5977","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-4',7-dihydroxy-3'-methoxyflavan
{"Ingredient_id": "HBIN006736","Ingredient_name": "(2s)-4',7-dihydroxy-3'-methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5978","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2S)- 7,3＇- dihydroxy- 4＇- methoxyflavan
{"Ingredient_id": "HBIN006783","Ingredient_name": "(2S)- 7,3\uff07- dihydroxy- 4\uff07- methoxyflavan","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=C(C=C1)C2CCC3=C(O2)C=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42861","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,3'-trimethoxybibenzil
{"Ingredient_id": "HBIN007215","Ingredient_name": "3,4,3'-trimethoxybibenzil","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "COC1=C(C=C(C=C1)CCC2=CC(=CC=C2)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21883","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,3'-trimethoxybibenzil
{"Ingredient_id": "HBIN007533","Ingredient_name": "3,5,3'-trimethoxybibenzil","Alias": "NA","Ingredient_formula": "C17H20O3","Ingredient_Smile": "COC1=CC=CC(=C1)CCC2=CC(=CC(=C2)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21884","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3S)-isovestitol
{"Ingredient_id": "HBIN009723","Ingredient_name": "(3S)-isovestitol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=C(C=CC(=C1)O)C2CC3=C(C=C(C=C3)O)OC2","Ingredient_weight": "272.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44446907","DrugBank_id": "NA"}
4'-hydroxy-7-methoxyflavan-3-ol
{"Ingredient_id": "HBIN010498","Ingredient_name": "4'-hydroxy-7-methoxyflavan-3-ol","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "COC1=CC2=C(CC(C(O2)C3=CC=C(C=C3)O)O)C=C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10403","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6''-hydroxyechinofuran b
{"Ingredient_id": "HBIN012431","Ingredient_name": "6''-hydroxyechinofuran b","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7544","PubChem_id": "NA","DrugBank_id": "NA"}
8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene
{"Ingredient_id": "HBIN013602","Ingredient_name": "8-acetoxy-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.5]dec-3-ene","Alias": "NA","Ingredient_formula": "C16H16O4","Ingredient_Smile": "NA","Ingredient_weight": "272.3","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7384","PubChem_id": "NA","DrugBank_id": "NA"}
