Exact Mass: 302.128
Exact Mass Matches: 302.128
Found 500 metabolites which its exact mass value is equals to given mass value 302.128,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cumyluron
Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
Odoratol
A member of the class of dihydrochalcones that is dihydrochalcone substituted by a hydroxy group at position 2, methoxy groups at positions 4 and 4 and a hydroxy group at position alpha- to the ketonic group.
Lotisoflavan
A hydroxyisoflavan that is isoflavan substituted by hydroxy groups at positions 2 and 4 and methoxy groups at positions 5 and 7 respectively.
(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan
(±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean. (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is isolated from Astragalus gummifer (tragacanth Isolated from Astragalus gummifer (tragacanth). (±)-3,7-Dihydroxy-2,4-dimethoxyisoflavan is found in common bean, yellow wax bean, and green bean.
Bicozamycin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals C784 - Protein Synthesis Inhibitor D004791 - Enzyme Inhibitors
Nicofetamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
Dibenzo[a,l]pyrene
This compound belongs to the family of Benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. D009676 - Noxae > D002273 - Carcinogens
Isomucronulatol
Isomucronulatol is an ether and a member of flavonoids. Isomucronulatol is a natural product found in Gliricidia sepium, Wisteria brachybotrys, and other organisms with data available. Isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is found in many foods, some of which are tea, yellow wax bean, green bean, and common bean. Isomucronulatol is found in common bean. Isomucronulatol is isolated from Glycyrrhiza glabra (licorice). Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1]. Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1].
(±)-Sphaerosin
Isolated from Lablab niger (hyacinth bean). (±)-Sphaerosin is found in many foods, some of which are hyacinth bean, yellow wax bean, pulses, and common bean. (±)-Sphaerosin is found in common bean. (±)-Sphaerosin is isolated from Lablab niger (hyacinth bean).
2',7-Dihydroxy-4',6-dimethoxyisoflavan
2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses. 2,7-Dihydroxy-4,6-dimethoxyisoflavan is isolated from cultures of Fusarium solani growing on Pisum sativum (pea). Isolated from cultures of Fusarium solani growing on Pisum sativum (pea). 2,7-Dihydroxy-4,6-dimethoxyisoflavan is found in pulses and common pea.
Phenylalanylhistidine
Phenylalanylhistidine is a dipeptide composed of phenylalanine 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.
Histidylphenylalanine
Histidylphenylalanine is a dipeptide composed of histidine and phenylalanine. 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.
Garcinia lactone dibutyl ester
Garcinia lactone dibutyl ester is found in fruits. Garcinia lactone dibutyl ester is a constituent of the fruit of Garcinia atroviridis (gelugor). Constituent of the fruit of Garcinia atroviridis (gelugor). Garcinia lactone dibutyl ester is found in fruits.
3'-Hydroxy-3,4,5,4'-tetramethoxystilbene
3-Hydroxy-3,4,5,4-tetramethoxystilbene is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
indole-3-acetyl-glutamine
Indole-3-acetyl-glutamine, also known as n(2)-(1h-indol-3-ylacetyl)glutaminate or iaa-gln, belongs to glutamine and derivatives class of compounds. Those are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Indole-3-acetyl-glutamine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Indole-3-acetyl-glutamine can be found in a number of food items such as yellow wax bean, rapini, borage, and fireweed, which makes indole-3-acetyl-glutamine a potential biomarker for the consumption of these food products.
Gutenbergin
4,7-Dihydorxy-2,3,6-trimethoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene
6,7-Dihydroxy-2,3,4-trimethoxy-9,10-dihydrophenanthrene
2-Formyl-5-(4-methoxybenzoyloxy)-3-methyl-2-cyclopentene-1-acetaldehyde
3,6-Dihydroxy-2,4,7-trimethoxy-9,10-Dihydropenanthrene
2,6-Dihydroxy-1,5,7-trimethoxy-9,10-dihydrophenanthrene
2,7-Dihydroxy-1,3,5-trimethoxy-9,10-dihydrophenanthrene
4-Hydroxy-3,3-dimethoxy-4,5-methylenedioxybibenzyl
5,6-Dihydroxy-1,3,4-trimethoxy-9,10-dihydrophenanthrene
2,6-Dihydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthrene
Irazunolide
2,4-Dihydroxy-4,6-dimethoxydihydrochalcone
4,2,6-Trihydroxy-4-methoxy-3-methyldihydrochalcone
4,4-Dihydroxy-2,6-dimethoxydihydrochalcone
4,4-Dihydroxy-2,6-dimethoxydihydrochalcone is a natural product found in Soymida febrifuga and Dracaena cochinchinensis with data available.
Isomucronulatol
Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1]. Isomucronulatol is a flavonoid isolated from the roots of A. membranaceus. Isomucronulatol exhibits inhibitory effects on LPS-stimulated production IL-12 p40 in vitro and has potential anti-inflammatory effect[1].
4-[formyl(6-methoxyquinolin-8-yl)amino]pentanoic acid
1-(2,4-dihydroxyphenyl)-3-(2-methoxy-4,5-methylenedioxyphenyl)-propane|2-Me,4,5-methylene ether-1-(2,4-Dihydroxyphenyl)-3-(2,4,5-trihydroxyphenyl)propane
3-[4-methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
3,8,9-trihydroxy-6-methoxy-3,7-dimethyl-2,4-dihydroanthracen-1-one
(2alpha,3beta,5alpha)-2-(acetyloxy)-9-methoxy-5-(methoxycarbonyl)-2,3-dimethylheptano-5-lactone|rel-(2R,4R,5S)-2-(acetyloxy)tetrahydro-2-(1-methoxyethyl)-4,5-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester
phoyunbene A|trans-3,3-dihydroxy-2,4,5-trimethoxystilbene
(2R,3S,4S)-2,3-trans-3,4-cis-7,4-dimethoxy-3,4-flavandiol|4.7-Dimethoxy-2.3-trans-flavan-3.4-cis-diol
3-Deoxy-4-O-methylsappanol
3-Deoxy-4-O-methylsappanol is a natural product found in Biancaea decapetala and Biancaea sappan with data available.
3,6,7-trimethoxy-9,10-dihydrophenanthrene-2,5-diol
9,10-Dihydro-3,4,6-trimethoxy-2,7-phenanthrenediol
3,9-dimethoxypterocarpan-6a-ol|6a-hydroxy-3,9-dimethoxypterocarpan
[3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl] 4-methoxybenzoate
phoyunbene B|trans-3,4-dihydroxy-2,3,5-trimethoxystilbene
2-(4-Hydroxyphenyl)-4-(3,4-dihydroxyphenyl)tetrahydro-2H-pyran-5-ol
9,10-Dihydro-2,4,7-trimethoxy-3,6-phenanthrenediol
1,5,7-trimethoxy-9,10-dihydrophenanthrene-2,6-diol
9,10-dihydro-2,7-dihydroxy-1,3,5-trimethoxyphenanthrene
(2R,3R,4S,5S)-2,4-bis(4-hydroxyphenyl)-3,5-dihydroxy-tetrahydropyran|taxodascendin
1,2,3,4-tetrahydro-3alpha-hydroxy-5,6-dimethoxy-2beta-methylanthracene-9,10-dione|psiconnatanone B
Griffithane D
A member of the class of 1,4-benzoquinones that is 1,4-benzoquinone which has been substituted by a methoxy group at position 5 and a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 2. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
2,3,3-Trimethyl-6-methoxy-7-hydroxy-9-methyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione
2-hydroxy-3,3-dimethoxy-4,5-methylenedioxybibenzyl|gastrochilin
3-hydroxy-2,5-dimethylphenyl 2,4-dihydroxy-3,6-dimethylbenzoate
(2S)-6,4-dihydroxy-7,3-dimethoxyflavan|griffinoid B
(1S,5S,8S)-5-hydroxy-8-(3-hydroxy-4-methoxyphenyl)-1-methylbicyclo[3.3.1]non-3-ene-2,9-dione|tazettone B
(2S)-3,4-dihydroxy-6,7-dimethoxyflavan|griffinoid C
rel-(5R,6S,7R)-5,6,7,8-tetrahydro-5,6,7-trihydroxy-2-(2-phenylethyl)-4H-1-benzopyran-4-one
2,5-dihydroxy-3,4,6-trimethoxy-9,10-dihydrophenanthrene
3,3-dimethoxy-4,5-methylenedioxy-4-hydroxybibenzyl
6-sec-butyl-3-(4-hydroxy-benzoyl)-5-methoxy-1H-pyrazin-2-one|Septorin
9,10-dihydro-5,6,8-trimethoxy-3,4-phenanthrenediol
7,8,8a,9-tetrahydro-8-h ydroxy-5-(hydroxymethyl)-2-methoxy-8a-methyl-1 ,4-anthracenedione
3-[4-methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenemethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionic acid|3-[4-Methyl-5-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-pyrrol-2-ylidenmethyl)-2-oxo-2,3-dihydro-pyrrol-3-yl]-propionsaeure
9,10-Dihydro-3,4,7-trimethoxy-2,6-phenanthrenediol
2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-methylbenzofuran
8,9-dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol
2,3,6-trimethoxy-9,10-dihydrophenanthrene-4,5-diol
BAUHINOXEPIN F
A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine substituted by methoxy groups at positions 6 and 9, methyl group at position 7 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities.
3,4,5-Trimethyl-4-hydroxy-7,8-dimethoxynaphtho[2,3-b]furan-9(4H)-one
3,4,5-Trimethyl-5-hydroxy-7,9-dimethoxynaphtho[2,3-b]furan-8(5H)-one
(R)-Isomucronulatol
(R)-Isomucronulatol is a natural product found in Astragalus mongholicus, Oxytropis falcata, and other organisms with data available.
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one
PRI_303.1340_15.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1612
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde
3-[(2,6-dihydroxy-3,4-dimethylphenyl)methyl]-2,4-dihydroxy-6-methylbenzaldehyde [IIN-based: Match]
1-(2,4-dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one_major
Phe-his
A dipeptide composed of L-phenylalanine and L-histidine joined by a peptide linkage.
3'-Hydroxy-3,4,5,4'-tetramethoxystilbene
1-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)-1-propanone
Mucronulatol
A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 2 and 4 and hydroxy groups at positions 7 and 3 respectively.
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-1,2,3,4,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one
1-[2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
2-O-(2-Methoxyethyl)uridine
2'-O-(2-Methoxyethyl)-uridine is a synthetic oligonucleotide conversed from uridine. 2'-O-(2-Methoxyethyl)-uridine has the potential for chemotherapeutic agents development[1].
1-Benzyl-2-(difluoro(phenoxy)Methyl)-4,5-dihydro-1H-imidazole
methanesulfonic acid,4-phenylmethoxycyclohexan-1-ol
4,4,5,5-TETRAMETHYL-2-[2-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
Neticonazole
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives C254 - Anti-Infective Agent > C514 - Antifungal Agent
3-o-acetyl-1,2:5,6-di-o-isopropylidene-alpha-d-glucofuranose
3-(2-HYDROXY-ETHOXYMETHYL)-2,5,9-TRIMETHYL-FURO[3,2-G]CHROMEN-7-ONE
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
4,4,5,5-Tetramethyl-2-(3-methyl-5-(trifluoromethoxy)-phenyl)-1,3,2-dioxaborolane
4-(trifluoromethoxy)benzylboronic acid pinacol ester
1-ETHYNYL-4-((4-(PHENYLETHYNYL)PHENYL)ETHYNYL)BENZENE
2-(4-METHOXY-2-(TRIFLUOROMETHYL)PHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2-Chloro-1-(8-methyl-1,2,3a,4,5,6-hexahydro-pyrazino[3,2,1-jk]carbazol-3-yl)-ethanone
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl] acetate
(S)-2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
1H-Indole-1-carboxylic acid, 3-(1-cyano-1-methylethyl)-5-fluoro-, 1,1-dimethylethyl ester
[R-(R*,S*)]-(-)-N-(1-PHENYLETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-AMINE DIHYDROCHLORIDE
2-[(4-Chlorophenyl)(4-piperidinyloxy)methyl]pyridine
furan-2,5-dione,methyl 2-methylprop-2-enoate,styrene
Safinamide
N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BD - Monoamine oxidase b inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)benzoic acid
tert-butyl 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
proxicromil
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
3-BENZYL-N-HYDROXY-1-ISOPROPYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXIMIDAMIDE
(3R,5R)-benzyl 3-amino-5-(trifluoromethyl)piperidine-1-carboxylate
(2S,5S)-3-Methyl-2-phenyl-5-(phenylMethyl)-4-IMidazolidinone hydrochloride
4,4,5,5-TETRAMETHYL-2-[3-(2,2,2-TRIFLUORO-ETHOXY)-PHENYL]-[1,3,2]DIOXABOROLANE
1(2H)-NAPHTHALENONE,4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-,OXIME
Phenol,4-[2-[4-(2-phenyldiazenyl)phenyl]diazenyl]-
N2-(1H-Indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
4-[(6-Phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
Phoyunbene B
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 4 and methoxy groups at positions 2, 3 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide.
(2S,3S)-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-ol
methyl 5-[(4-tert-butylbenzoyl)amino]-2H-1,2,4-triazole-3-carboxylate
sequirin C
A norlignan that is a derivative of agatharesinol in which the aromatic ring B has an additional hydroxy substituent ortho to the one present in the parent compound.
Pterolinus G
A member of the class of hydroquinones that is benzene-1,4-diol substituted by a methoxy group at position 5 and a prop-en-1-yl group at position 2 which in turn is substituted by a 3-hydroxy-4-methoxyphenyl group at position 1. It has been isolated from Pterocarpus santalinus.
4-(dimethylamino)benzaldehyde N-(2-furylmethyl)thiosemicarbazone
2-chloro-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
4-(4-Hydroxy-3-isopropylphenylthio)-2-isopropylphenol
N,N-Diphenylpyrazolo[1,5-A][1,3,5]triazine-2,4-diamine
4-amino-1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-2-ium
5-Hydroxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanamide
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid
4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]benzene-1,2-diol
Phoyunbene A
A stilbenoid that is trans-stilbene substituted by hydroxy groups at positions 3 and 3 and methoxy groups at positions 2, 4 and 5. Isolated from Pholidota yunnanensis, it exhibits inhibitory effects on production of nitric oxide.
(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
Hydroxysugiresinol
A norlignan that is a derivative of sugiresinol in which the aromatic ring B has an additional hydroxy substituent.
5-(4-Methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
(3S,4R)-4 hydroxy-6,3 dimethoxyisoflavan-4-ol
A methoxyisoflavan that is (S)-isoflavan substituted by methoxy groups at positions 6 and 3 and hydroxy groups at positions 4 and 4. It has been isolated from Taxus yunnanensis and exhibits inhibitory activity against CYP3A4.
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
1-[4-(4-Aminophenyl)-2-thiazolyl]-4-piperidinecarboxamide
5-(3-indolylidene)-N-(1-methoxypropan-2-yl)-4H-1,3,4-thiadiazin-2-amine
N-[5-[(4-methylphenyl)methyl]-2-thiazolyl]-2-oxolanecarboxamide
N-[2-methoxy-4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-furancarboxamide
(S,S,S)-nicotianamine monoanion
The tricarboxylic acid monoanion that is the conjugate base of (S,S,S)-nicotianamine, resulting from deprotonation of the central carboxy group and zwitterion formation of the other two. One of two major microspecies at physiological pH.
2-[(3,4,8-Trimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
2-[[2-(3-Methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester
(4E)-4-(dimethylaminomethylidene)-2-(4-nitrophenyl)-5-propylpyrazol-3-one
2-methyl-N-[1-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
N-(7-methyl-2,5-dioxo-4,4a,6,10b-tetrahydro-3H-pyrano[3,2-c]quinolin-3-yl)propanamide
1-methyl-N-(2-naphthalenyl)-5-benzotriazolecarboxamide
5-(tert-butyl)-2-methyl-N-(4-nitrophenyl)-3-furamide
5-Hydroxy-8-(2-hydroxypropan-2-yl)-4-prop-2-enyl-8,9-dihydrouro[2,3-h]chromen-2-one
2-(4-ethyl-3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
3-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol
4-methoxy-2-[2-[5-methoxy-2-(oxidoamino)phenyl]ethyl]-N-oxidoaniline
3,4-Diethynyl-1,1-dimethyl-2,5-bis(trimethylsilyl)-1-silacyclopenta-2,5-diene
N-(1,2-Diphenylethyl)nicotinamide
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AC - Synthetic antispasmodics, amides with tertiary amines
Phe-His zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Phe-His. Major species at pH 7.3.
N-(indol-3-ylacetyl)glutaminate
A monocarboxylic acid anion that is the conjugate base of N-(indol-3-ylacetyl)glutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(3s,4r)-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
10-(2-hydroxypropan-2-yl)-7-methyl-3-oxo-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7,9-tetraen-11-yl acetate
(1s,2r,4r,6s,7s,9s,10r,11r)-2,9-dimethoxy-6,11-dimethyl-5,8,12-trioxatetracyclo[7.3.1.0²,⁷.0⁷,¹¹]tridecane-4,10-diol
(3s)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(3s)-3-(2-hydroxy-4-methoxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-6-ol
(3r,4s)-3-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(3r)-3-[(4-hydroxyphenyl)methoxy]-8-methoxy-3,4-dihydro-2h-1-benzopyran-7-ol
(4s,4ar,9ar)-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-4-yl acetate
(3r,4s)-7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4,6-diol
4-[5-hydroxy-2-(4-hydroxyphenyl)oxan-4-yl]benzene-1,2-diol
8-hydroxy-6-(1-hydroxy-4-methylpent-3-en-1-yl)-5-methoxynaphthalene-1,4-dione
(1r,10r)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,8,12(15)-tetraen-10-yl acetate
(3r)-3-(2-hydroxy-4,5-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3,4-dihydro-2h-1-benzopyran-4-ol
(2s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5-ol
(1s,2r)-3-formyl-4-methyl-2-(2-oxoethyl)cyclopent-3-en-1-yl 4-methoxybenzoate
6-hydroxy-7-methoxy-2,3,3,9-tetramethyl-2h-naphtho[1,2-b]furan-4,5-dione
3-[2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2,6-dimethoxyphenol
5,6,7-trihydroxy-7-(6-oxo-2,3-dihydropyran-2-yl)heptan-3-yl acetate
(3s)-3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
(1as,3r,4r,4ar,7s,8as)-7-chloro-3-hydroxy-3,4a,8,8-tetramethyl-hexahydronaphtho[1,8a-b]oxirene-4-carboxylic acid
4-[(2s)-5,7-dimethoxy-3,4-dihydro-2h-1-benzopyran-2-yl]benzene-1,2-diol
(3r)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2h-1-benzopyran-7-ol
1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol
{"Ingredient_id": "HBIN000867","Ingredient_name": "1-(2-hydroxy-4-methoxyphenyl)-3-(3,4-methyl-enedioxyphenyl)propan-2-ol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC(=C(C=C1)CC(CC2=CC3=C(C=C2)OCO3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10446","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Methoxybenzyl-2,6-dimethoxybenzoate
{"Ingredient_id": "HBIN005905","Ingredient_name": "2-Methoxybenzyl-2,6-dimethoxybenzoate","Alias": "2-methoxybenzyl-2,6-dimethoxybenzoate; 2,6-dimethoxybenzoic acid (2-methoxybenzyl) ester; ZINC07184140; 2,6-dimethoxybenzoic acid (2-methoxyphenyl)methyl ester; (2-methoxyphenyl)methyl 2,6-dimethoxybenzoate","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2OC","Ingredient_weight": "302.32","OB_score": "85.96466993","CAS_id": "81532-10-7","SymMap_id": "SMIT00960","TCMID_id": "13846","TCMSP_id": "MOL012161","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3′-deoxy-4-O-methylepisappanol
{"Ingredient_id": "HBIN008426","Ingredient_name": "3\u2032-deoxy-4-O-methylepisappanol","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1C2=C(C=C(C=C2)O)OCC1(CC3=CC=C(C=C3)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38849","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3R)-5'-Methoxyvestitol
{"Ingredient_id": "HBIN009537","Ingredient_name": "(3R)-5'-Methoxyvestitol","Alias": "(3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)chroman-7-ol; (3R)-3-(2-hydroxy-4,5-dimethoxyphenyl)-7-chromanol; (3r)-5'-methoxyvestitol; (3R)-3-(2-hydroxy-4,5-dimethoxy-phenyl)chroman-7-ol","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=C(C=C(C(=C1)C2CC3=C(C=C(C=C3)O)OC2)O)OC","Ingredient_weight": "302.32 g/mol","OB_score": "83.057719","CAS_id": "NA","SymMap_id": "SMIT05088","TCMID_id": "14096","TCMSP_id": "MOL002939","TCM_ID_id": "NA","PubChem_id": "5319496","DrugBank_id": "NA"}
α-2'-dihydroxy-4,4'-dimethoxydihydrochalcone
{"Ingredient_id": "HBIN015326","Ingredient_name": "\u03b1-2'-dihydroxy-4,4'-dimethoxydihydrochalcone","Alias": "NA","Ingredient_formula": "C17H18O5","Ingredient_Smile": "COC1=CC=C(C=C1)CC(C(=O)C2=C(C=C(C=C2)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5821","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
