Exact Mass: 304.0823
Exact Mass Matches: 304.0823
Found 500 metabolites which its exact mass value is equals to given mass value 304.0823,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Isolated from Vicia faba and other legumes. Vicine is found in bitter gourd, pulses, and broad bean. Vicine is found in bitter gourd. Vicine is isolated from Vicia faba and other legumes. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
Melphalan
An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - melphalan, the racemic mixture - merphalan, and the dextro isomer - medphalan; toxic to bone marrow, but little vesicant action; potential carcinogen. [PubChem] L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-acetyl-aspartyl-glutamate (NAAG)
N-Acetylaspartylglutamate (NAAG) is a neuropeptide found in millimolar concentrations in the brain that is localized to subpopulations of glutamatergic, cholinergic, GABAergic, and noradrenergic neuronal systems. NAAG is released upon depolarization by a Ca(2+)-dependent process and is an agonist at mGluR3 receptors and an antagonist at NMDA receptors. NAAG is catabolized to N-acetylaspartate and glutamate primarily by glutamate carboxypeptidase II, which is expressed on the extracellular surface of astrocytes. The levels of NAAG and the activity of carboxypeptidase II are altered in a regionally specific fashion in several neuropsychiatric disorders (PMID:9361299). N-Acetylaspartylglutamic acid (NAAG) is a purported precursor of N-acetylaspartic acid (NAA) and is present at about one-tenth of the concentration of NAA in the brain. NAAG has been reported to activate N-methyl-D-aspartic acid (NMDA) receptors in neurons. Previous immunohistochemical studies in the vertebrate central nervous system (CNS) have suggested that NAAG is exclusively localized to neurons. Recent evidence, however, indicates that NAAG might also be localized to nonneuronal cells within the CNS. Only traces of NAA and NAAG are detectable in other tissues. Some compounds can change levels of NAA and NAAG in the brain. For example, methylphenidate increases the levels of NAA and NAAG in the cerebral cortex; amphetamine also increases NAA concentration in a mature brain by 26\\\%, raising the possibility that other neurochemical systems might be involved in the clinical effects of stimulants (PMID:10603234). N-Acetylaspartylglutamate (NAAG) is a neuropeptide found in millimolar concentrations in brain that is localized to subpopulations of glutamatergic, cholinergic, GABAergic, and noradrenergic neuronal systems. NAAG is released upon depolarization by a Ca(2+)-dependent process and is an agonist at mGluR3 receptors and an antagonist at NMDA receptors. NAAG is catabolized to N-acetylaspartate and glutamate primarily by glutamate carboxypeptidase II, which is expressed on the extracellular surface of astrocytes. The levels of NAAG and the activity of carboxypeptidase II are altered in a regionally specific fashion in several neuropsychiatric disorders. (PMID 9361299) D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents Spaglumic Acid (N-Acetylaspartylglutamic acid) is a neuropeptide found in millimolar concentrations in brain.
6-Methoxy-alpha-pyrufuran
6-Methoxy-alpha-pyrufuran is found in fruits. 6-Methoxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 6-Methoxy-alpha-pyrufuran is found in medlar and fruits.
Tetrangulol
A member of the class of tetraphenes that is tetraphene-7,12-dione substituted by hydroxy groups at positions 1 and 8 and a methyl group at position 3.
Diazinon
Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. Diazinon is used against animal ectoparasite Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. It is used against animal ectoparasites. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856 CONFIDENCE standard compound; EAWAG_UCHEM_ID 293 CONFIDENCE standard compound; INTERNAL_ID 4006 CONFIDENCE standard compound; INTERNAL_ID 8779 CONFIDENCE standard compound; INTERNAL_ID 3124
Medphalan
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
spaglumic acid
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AC - Antiallergic agents, excl. corticosteroids C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists S - Sensory organs > S01 - Ophthalmologicals > S01G - Decongestants and antiallergics D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents Spaglumic Acid (N-Acetylaspartylglutamic acid) is a neuropeptide found in millimolar concentrations in brain.
Dexrazoxane hydrochloride
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
Medphalan
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
(R)-Heraclenol
9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone is a member of psoralens. 9-(2,3-Dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one is a natural product found in Angelica dahurica with data available. (R)-Heraclenol is found in herbs and spices. (R)-Heraclenol is obtained from roots of Angelica specie obtained from roots of Angelica subspecies (R)-Heraclenol is found in herbs and spices.
Indole-3-acetylglutamic acid
Indole-3-acetylglutamic acid belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from the reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Indole-3-acetylglutamic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Indole-3-acetylglutamic acid is a constituent of various plant species including soybean (Glycine max) and pulses.
3'-O-methyl-(-)-epicatechin
3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate
4'-O-methyl-(-)-epicatechin
4-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
Musanolone E
Musanolone E is found in fruits. Musanolone E is a constituent of Musa acuminata (dwarf banana). Constituent of Musa acuminata (dwarf banana). Musanolone E is found in fruits.
4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one
4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one is found in fruits. 4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one is isolated from Musa acuminata (dwarf banana). Isolated from Musa acuminata (dwarf banana). 4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one is found in fruits.
Fonsecin B
Fonsecin B is a mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
2-(4-Methoxyphenyl)naphthalic anhydride
2-(4-Methoxyphenyl)naphthalic anhydride is found in fruits. 2-(4-Methoxyphenyl)naphthalic anhydride is isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. Isolated from the unripe banana fruit (Musa acuminata) infected with Colletotrichum musae. 2-(4-Methoxyphenyl)naphthalic anhydride is found in fruits.
4-Methyl-epicatechin
4-methyl-epicatechin is a cocoa and Tea metabolite found in plasma.
3-Methyl-epicatechin
3-methyl-epicatechin is one of the cocoa and tea metabolites.
(±)-Conen
(±)-Conen is a fungicide, used against rice blas
4'-O-Methylcatechin
4-O-Methylcatechin is found in chinese cinnamon. 4-O-Methylcatechin is a constituent of Chinese cinnamon (Cinnamomum cassia) Constituent of Chinese cinnamon (Cinnamomum cassia). 4-Methylcatechin is found in chinese cinnamon and herbs and spices.
Arachidoside
Arachidoside is found in nuts. Arachidoside is isolated from shells of peanuts (Arachis hypogaea). Isolated from shells of peanuts (Arachis hypogaea). Arachidoside is found in nuts.
3'-O-Methylcatechin
3-O-Methylcatechin is a constituent of Pinus sylvestris (Scotch pine). 3-O-Methylcatechin is a flavonoid metabolite. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Constituent of Pinus sylvestris (Scotch pine) D004791 - Enzyme Inhibitors
Demonomethylchlorpromazine
Demonomethylchlorpromazine is a metabolite of chlorpromazine. Chlorpromazine (as chlorpromazine hydrochloride, abbreviated CPZ; marketed in the United States as Thorazine and elsewhere as Largactil) is a typical antipsychotic. First synthesized on December 11, 1950, chlorpromazine was the first drug developed with specific antipsychotic action, and would serve as the prototype for the phenothiazine class of drugs, which later grew to comprise several other agents. (Wikipedia)
2-Methoxy-5,7,3',4'-tetrahydroxyflavan
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors
Clobuzarit
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Pterocarpanquinone
N-Acetyl-1-aspartylglutamic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents Spaglumic Acid (N-Acetylaspartylglutamic acid) is a neuropeptide found in millimolar concentrations in brain.
Protosappanin B
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
2-(3,4-Dihydroxyphenyl)-2-methyl-3,4-dihydrochromene-3,5,7-triol
4-(6-Carbamoyl-5-formyl-2H-pyran-4-yl)-5-formyl-2H-pyran-6-carboxamide
aviprin
Oxypeucedanin hydrate is a furanocoumarin. It has a role as a metabolite. Oxypeucedanin hydrate is a natural product found in Ferulago sylvatica, Ferula syreitschikowii, and other organisms with data available. A natural product found in Peucedanum ostruthium. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1].
ProtosappaninB
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
Oxypeucedan
(-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1].
Protosappanin
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
3-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
4,2,4,beta-Tetrahydroxy-6-methoxydihydrochalcone
(-)-3-[2-(Acetyloxy)propyl]-2-hydroxy-8-methoxy-1,4-naphthoquinone
Catechin 4-methyl ether
Catechin-3-methyl ether
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone
Oxypeucedanin hydrate
(-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1].
2-(trans-1,4-dihydroxy-2-cyclohexenyl)-5-hydroxy-7-methoxychromone
2-Hydroxy-8-(3,4-dihydroxyphenyl)-1H-phenalen-1-one
(2S,1S)-2,3-dihydro-2-(2-acetoxy-1-hydroxymethylethyl)-7H-furo<3,2-g><1>benzopyran-7-one|(2S,1S)-2,3-dihydro-2-(1-hydroxy-2-acetyloxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one|dorsteniol monoacetate
6-methoxy-4,2,4,beta-tetrahydroxy-alpha,beta-dihydrochalcone
Protosappanin B
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
(3R)-(-) 1-deoxyaustrocortirubin|1-deoxyaustrocortirubin|Deoxyaustrocortirubin
(S)-2-(2-oxo-1,2-dihydroquinoline-4-carboxamido)succinic acid
(R)-3-(allylthio)-2-((R)-3-(allylthio)-2-aminopropanamido)propanoic acid
(2S,6R)-6-hydroxy-2,4-dimethoxy-6-methyl-3H-spiro[benzofuran-2,1-cyclohex[2]ene]-3,4-dione|6-O-desmethyldechlorogriseofulvin|griseofulvin microcrystalline
1-Hydroxy-3-methyl-7,9-dimethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
2,5,6-trihydroxy-7-phenylphenalen-1-one|2,5,6-trihydroxy-9-phenylphenalen-1-one|lachnanthoside aglycone
3,7-Dihydroxy-2,5-dimethoxy-6-methylspiro(benzofuran-2(3H),1-(2,5)cyclohexadien)-4-one
3-[[4,5-dihydroxy-2(hydroxymethyl)phenyl]-methyl]-2,3-dihydro-3,6-benzofurandiol
5-Methoxy-7-phenyl-1H,6H-naphtho[1,8-cd]pyran-1,6-dione
2-Hydroxy-3-(2-acetoxypropyl)-8-methoxy-1,4-naphthoquinone
8-(2-Oxo-3-hydroxypropyl)-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one
METHYL 7-DESOXYPURPUROGALLIN-7-CARBOXYLATE TRIMETHYL ETHER
9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
3-hydroxy-6-(2-methyl-4-oxochromen-5-yl)-5-oxohexanoic acid
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate
C16H16O6_4-Hydroxy-2,6-dimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847150]
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based on: CCMSLIB00000847188]
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based: Match]
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based: Match]
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based: Match]
Amiprofos methyl
CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4632; ORIGINAL_PRECURSOR_SCAN_NO 4630 INTERNAL_ID 1274; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4619; ORIGINAL_PRECURSOR_SCAN_NO 4614 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4619; ORIGINAL_PRECURSOR_SCAN_NO 4614 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4605; ORIGINAL_PRECURSOR_SCAN_NO 4602 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4633; ORIGINAL_PRECURSOR_SCAN_NO 4630 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4634; ORIGINAL_PRECURSOR_SCAN_NO 4631 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9378; ORIGINAL_PRECURSOR_SCAN_NO 9374 CONFIDENCE standard compound; INTERNAL_ID 1274; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9386; ORIGINAL_PRECURSOR_SCAN_NO 9384
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one_minor
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one_major
Asp Gly Gly Gly
Gly Asp Gly Gly
4-O-methyl-(-)-epicatechin
A catechin that is (-)-epicatechin in which the hydroxy group at position 4 is replaced by a methoxy group. It is a metabolite of (-)-epicatechin.
4-Methyl-epicatechin
3-Methyl-epicatechin
2-(4-Methoxyphenyl)naphthalic anhydride
4-(3,4-Dihydroxyphenyl)-2-hydroxy-1H-phenalen-1-one
4-methyl-n-(2-oxo-2,5,6,7-tetrahydro-1h-cyclopenta[b]pyridin-4-yl)benzenesulfonamide
4-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl 4-methylbenzenesulfonate
3-((2-ETHOXY-3,4-DIOXOCYCLOBUT-1-EN-1-YL)AMINO)-2-HYDROXY-N,N-DIMETHYLBENZAMIDE
5-(3-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
ethyl 3-(2-carboxy-vinyl)-7-nitro-1h-indole-2-carboxylate
N-(8-AMINO-6-FLUORO-5-METHYL-1-OXO-1,2,3,4-TETRAHYDRONAPHTHALEN-2-YL)-2,2,2-TRIFLUOROACETAMIDE
3-(2-NAPHTHALEN-1-YL-[1,3]DITHIAN-2-YL)-PROPAN-1-OL
N-[2-(2-aminoethylamino)ethyl]propane-1,3-diamine,tetrahydrochloride
5-Phenyl-2-(trifluoromethyl)-1H-indole-7-carboxamide
4,4,5,5-TETRAMETHYL-2-(4-((TRIFLUOROMETHYL)THIO)PHENYL)-1,3,2-DIOXABOROLANE
tert-butyl N-[2-amino-2-(2,4-dichlorophenyl)ethyl]carbamate
2-(4-((4-CHLOROPHENYL)SULFONYL)PIPERAZIN-1-YL)ETHANOL
(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL 4-BROMOBUTANOATE
Carbonothioic acid S-(4,6-dimethyl-2-pyrimidinyl) O-[(4-methoxyphenyl)methyl] ester
1-(2,2-dimethoxyethyl)-6-oxo-2-phenylpyrimidine-5-carboxylic acid
Acide spaglumique
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
3-(t-Butyldimethylsilyloxy)-4-chloro-2-fluorophenylboronic acid
7-HYDROXY-3-(1-PHENYL-1H-PYRAZOL-4-YL)-CHROMEN-4-ONE
(2R,3R,4S,5S,6R)-2-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)tet rahydropyran-3,4,5-triol
ethyl 3-(2-carboxy-vinyl)-5-nitro-1h-indole-2-carboxylate
N-(5-amino-2-chlorophenyl)-4,4-dimethyl-3-oxovaleramide
N,N-DIETHYL-2-OXO-1,2-DIHYDROBENZO[CD]INDOLE-6-SULFONAMIDE
Cerulignone
5-(5-(ETHOXYCARBONYL)-3-METHYL-1H-PYRAZOL-1-YL)-2-METHOXYBENZOIC ACID
1-(3-PYRIDIN-3-YL-[1,2,4]OXADIAZOL-5-YL)-ETHYLAMINE
mannomustine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
2-(4-CHLOROPHENYL)-1,3-BIS(1H-1,2,4-TRIAZOL-1-YL)-2-PROPANOL
Tricyclo[6.4.0.0(2,7)]dodecane-1,2,7,8-tetracarboxylic Dianhydride
2,3-Naphthalenedicarboxylicacid, 1,4-dihydroxy-, 2,3-diethyl ester
benzyl 2-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate
2,3-dihydro-1-benzofuran-2-ylmethyl 4-methylbenzenesulfonate
potassium (4-benzyloxy-2-methylphenyl)trifluoroborate
4-BROMO-1-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)-1H-PYRAZOLE
Methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
Methyl clofenapate
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
3,12-Dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaene-14,21-dione
4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
N-(1-naphthalenyl)-5-pyridin-4-yl-1,3,4-thiadiazol-2-amine
Ethyl 5-amino-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
N-(6-methyl-2-pyridinyl)-2-(phenylmethyl)sulfonylacetamide
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide
3-[(2,2-Dimethylpropanoyl)amino]-N-1,3-Thiazol-2-Ylpyridine-2-Carboxamide
diazinon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856
3'-O-methyl-(-)-epicatechin
3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4'-O-methyl-(-)-epicatechin
4-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxy-3,6-dimethoxy-5-methylspiro[1-benzouran-2,4-cyclohex-2-ene]-1,3-dione
2-(9-Hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl acetate
2-Hydroxy-3,4,6,9-tetramethoxydibenzofuran
A natural product found in Rhaphiolepis indica var. tashiroi.
3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester
{3-oxo-2-[(2Z)-5-(sulfonatooxy)pent-2-en-1-yl]cyclopentyl}acetate
10,2-Dihydroxy-4,5-methylenedioxy-isoflav-8-ene-7-one
[4-(5-methylhexanoyl)-5-oxo-2H-furan-3-yl]methyl phosphate
N-Acetyl-1-aspartylglutamic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents
Zinecard
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
4-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio]-3-oxobutanoic acid ethyl ester
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide
(2R)-2-[[(3S)-3-acetamido-3-carboxy-1-oxopropyl]amino]pentanedioic acid
2-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulanylpropanoic acid
1-Azepanecarboxylic acid (7-chloro-4-quinolinyl) ester
N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
N-[(4-chlorophenyl)-oxomethyl]-2-hydroxy-3-methylbenzohydrazide
5-chloro-N-[(1E,2E)-3-(2-furyl)-1-methylprop-2-enylidene]-2-hydroxybenzohydrazide
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide
N-[2-[3-(ethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]propanamide
2-[[2-(2-Oxo-1,3-dihydroindol-3-yl)acetyl]amino]butanedioate
3-(4-Methoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)propan-1-one
(2S,3S,4R,5R)-6-[(E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
(5-Hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl) hydrogen sulate
2-methyl-1-(pyrazin-2-ylmethyl)-1H-naphtho[2,3-d]imidazole-4,9-dione
3,4,5-Trimethoxy-2-methylsulfonylmethylbenzyl methyl ether
3-Hydroxy-6-(2-methyl-4-oxochromen-5-yl)-5-oxohexanoic acid
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
melphalan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01A - Alkylating agents > L01AA - Nitrogen mustard analogues A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Sarcolysin
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents > D019653 - Myeloablative Agonists D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D009676 - Noxae > D000477 - Alkylating Agents
N-Acetyl-alpha-aspartylglutamic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D009676 - Noxae > D009498 - Neurotoxins D018926 - Anti-Allergic Agents D020011 - Protective Agents
Fonsecin B
A naphtho-gamma-pyrone that is fonsecin in which the hydroxy group at position 8 (meta to the methoxy group) has been converted to the corresponding methyl ether. Found in Aspergillus fonsecaeus.
Clozic
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(+)-catechin-3-methyl ether
A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3 has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables.
Ac-Asp-Glu
A dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage.
N-(Indole-3-acetyl)glutamic acid
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of glutamic acid.
(2s)-2-{[hydroxy(2-hydroxyquinolin-4-yl)methylidene]amino}butanedioic acid
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formylcyclohex-3-ene-1-carboxylic acid
2-hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylidene]-2,5-dimethylcyclohex-4-ene-1,3-dione
(5as,6s,10ar)-10a-hydroxy-2-methyl-3-methylidene-1,4-dioxo-5ah,6h,10h-pyrazino[1,2-a]indol-6-yl acetate
5,10-dihydroxy-7-isopropyl-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione
(1r,3s,4s,6r,7s,8r)-3-(chloromethyl)-6-hydroxy-8-methoxy-10-methylidene-2,9-dioxatricyclo[4.3.1.0³,⁷]decan-4-yl acetate
2-(3-hydroxy-4-methoxybenzoyl)-3,5-dimethoxyphenol
(12s)-8-hydroxy-2-methoxy-12-methyl-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1(9),2,7,11(15)-tetraene-10,16-dione
8-hydroxy-9-methoxy-2-methyl-4-oxo-5h-pyrano[3,2-c]chromene-10-carboxylic acid
2-hydroxy-4-isopropyl-7-methoxy-6-methyl-5,8-dioxonaphthalene-1-carboxylic acid
2-(1,6-dihydroxy-4-oxocyclohex-2-en-1-yl)-5,7-dihydroxychromen-4-one
4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one
methyl 4,8-dihydroxy-6-methyl-9-oxo-4,9a-dihydro-1h-xanthene-4a-carboxylate
4a,7-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione
3-hydroxy-9-methyl-8,17-dioxatricyclo[12.2.1.0⁵,¹⁶]heptadeca-1,3,5(16)-triene-7,12,15-trione
(1r,3r)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
methyl 5,8-dihydroxy-2-methyl-4,9-dioxo-2h,3h-naphtho[2,3-b]furan-7-carboxylate
1,5,10-trihydroxy-7-methoxy-3-methyl-1h-cyclohexa[g]isochromene-6,9-dione
6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
(4r)-4,10,11-trihydroxy-8-methoxy-4-methyl-3h,5h-naphtho[2,3-c]oxepin-1-one
(1s,2r,10r)-2,4-dihydroxy-6-methoxy-12-methyl-11,15-dioxatetracyclo[8.4.1.0¹,¹⁰.0³,⁸]pentadeca-3,5,7,12-tetraene-9,14-dione
2-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
(1r,2r,3s)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid
(2r,3r)-2-(2,5-dihydroxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-3,5-diol
methyl 4,8-dihydroxy-3-methyl-9-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
3-(3,4-dihydroxyphenyl)-2,6,8-trihydroxy-2,3-dihydro-1-benzopyran-4-one
1,3,7-trihydroxy-4,8-dimethoxyxanthone
{"Ingredient_id": "HBIN001112","Ingredient_name": "1,3,7-trihydroxy-4,8-dimethoxyxanthone","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "COC1=C(C=CC2=C1C(=O)C3=C(C(=C(C=C3O2)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41917","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-cis-dihydroquercetin
{"Ingredient_id": "HBIN003952","Ingredient_name": "2,3-cis-dihydroquercetin","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40771","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-trans-dihydroquercetin
{"Ingredient_id": "HBIN004177","Ingredient_name": "2,3-trans-dihydroquercetin","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40757","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β- dihydroguercetin
{"Ingredient_id": "HBIN005220","Ingredient_name": "2\u03b1,3\u03b2- dihydroguercetin","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42700","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α,3β- dihydroquercetin
{"Ingredient_id": "HBIN005222","Ingredient_name": "2\u03b1,3\u03b2- dihydroquercetin","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42699","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-o-(4-hydroxybenzoyl)-2,4,6-trihydroxy-phenylaceticacid
{"Ingredient_id": "HBIN006167","Ingredient_name": "2-o-(4-hydroxybenzoyl)-2,4,6-trihydroxy-phenylaceticacid","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9829","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-3,3',5',5,7-pentahydroflavanone
{"Ingredient_id": "HBIN007139","Ingredient_name": "(+)-3,3',5',5,7-pentahydroflavanone","Alias": "AC1NSZI8; (2R,3R)-2-(3,5-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one; CHEMBL3634574","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","Ingredient_weight": "304.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT18840","TCMID_id": "25360","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5320468","DrugBank_id": "NA"}
3,3',5,5',7-pentahydroxyflavanone
{"Ingredient_id": "HBIN007141","Ingredient_name": "3,3',5,5',7-pentahydroxyflavanone","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=CC(=C(C=C1C2C(=O)C(C3=C(C=C(C=C3O2)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42006","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,5,7,2',6'-pentahydroxy flavanonol
{"Ingredient_id": "HBIN007564","Ingredient_name": "3,5,7,2',6'-pentahydroxy flavanonol","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "COC1=CC(=C2C(=C1)OC3=CC(=C(C(=C3C2=O)O)OC)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31764","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(+)-3,5,7,3',5'-pentahydroxyflavanone
{"Ingredient_id": "HBIN007568","Ingredient_name": "(+)-3,5,7,3',5'-pentahydroxyflavanone","Alias": "NA","Ingredient_formula": "C15H12O7","Ingredient_Smile": "C1=C(C=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","Ingredient_weight": "304.25 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16834","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "25073455","DrugBank_id": "NA"}
(3R)-3, 8'-dihydroxyvestitol
{"Ingredient_id": "HBIN009502","Ingredient_name": "(3R)-3, 8'-dihydroxyvestitol","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)O)OC2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3' (s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin
{"Ingredient_id": "HBIN009714","Ingredient_name": "3' (s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin","Alias": "3'(s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin","Ingredient_formula": "C16H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14123","TCMID_id": "213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone
{"Ingredient_id": "HBIN010616","Ingredient_name": "4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14011","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s,4ar,9ar)-4a-carbomethoxy-1,4,4a,9a-tetra-3',6-dihydroxy-2,4,4'-trimethoxybenzophenone
{"Ingredient_id": "HBIN010883","Ingredient_name": "(4s,4ar,9ar)-4a-carbomethoxy-1,4,4a,9a-tetra-3',6-dihydroxy-2,4,4'-trimethoxybenzophenone","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "CC1=CC2=C(C(=C1)O)C(=O)C3CC=CC(C3(O2)C(=O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4h-1-benzopyran-4-one
{"Ingredient_id": "HBIN013258","Ingredient_name": "7-hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4h-1-benzopyran-4-one","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "NA","Ingredient_weight": "304.29","OB_score": "NA","CAS_id": "188625-45-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7444","PubChem_id": "NA","DrugBank_id": "NA"}
