Exact Mass: 310.05829400000005
Exact Mass Matches: 310.05829400000005
Found 497 metabolites which its exact mass value is equals to given mass value 310.05829400000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Picrotin
Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. Picrotin belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Picrotin is soluble (in water) and a very weakly acidic compound (based on its pKa). C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
6-Deoxyjacareubin
6-Deoxyjacareubin is a member of pyranoxanthones. 6-Deoxyjacareubin is a natural product found in Mourera fluviatilis, Hypericum brasiliense, and other organisms with data available.
Sulfadoxine
C12H14N4O4S (310.07357240000005)
Sulfadoxine is only found in individuals that have used or taken this drug. It is a long acting sulfonamide that is used, usually in combination with other drugs, for respiratory, urinary tract, and malarial infections. [PubChem]Sulfadoxine is a sulfa drug, often used in combination with pyrimethamine to treat malaria. This medicine may also be used to prevent malaria in people who are living in, or will be traveling to, an area where there is a chance of getting malaria. Sulfadoxine targets Plasmodium dihydropteroate synthase and dihydrofolate reductase. Sulfa drugs or Sulfonamides are antimetabolites. They compete with para-aminobenzoic acid (PABA) for incorporation into folic acid. The action of sulfonamides exploits the difference between mammal cells and other kinds of cells in their folic acid metabolism. All cells require folic acid for growth. Folic acid (as a vitamin) diffuses or is transported into human cells. However, folic acid cannot cross bacterial (and certain protozoan) cell walls by diffusion or active transport. For this reason bacteria must synthesize folic acid from p-aminobenzoic acid. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 1010
Diflubenzuron
C14H9ClF2N2O2 (310.03205879999996)
Insecticide, interfering with chitin deposition by oral absorption. Diflubenzuron is used on soya beans, citrus, tea, vegetables and mushrooms. Also used as an insecticide in feed for poultry and pigs and as a controlled release bolus in cattl D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D07829
trans-cinnamoyl-beta-D-glucoside
Trans-cinnamoyl-beta-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-beta-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-beta-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-beta-d-glucoside a potential biomarker for the consumption of these food products. Trans-cinnamoyl-β-d-glucoside, also known as 1-O-trans-cinnamoyl-beta-D-glucopyranose, is a member of the class of compounds known as O-cinnamoyl glycosides. O-cinnamoyl glycosides are o-glycoside derivatives of cinnamic acid. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid. Trans-cinnamoyl-β-d-glucoside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-cinnamoyl-β-d-glucoside can be found in a number of food items such as angelica, cherry tomato, garden cress, and yam, which makes trans-cinnamoyl-β-d-glucoside a potential biomarker for the consumption of these food products.
De-O-methylsterigmatocystin
De-O-methylsterigmatocystin is a mycotoxin of Aspergillus versicolor. Mycotoxin of Aspergillus versicolor
O-Ethyl S,S-diphenyl phosphorodithioate
Rice fungicid
Filiforminol
C15H19BrO2 (310.05683339999996)
A tricyclic sesquiterpenoid that is isolated from the Australian marine alga Laurencia filiformis.
Mefluidide
C11H13F3N2O3S (310.0598944000001)
Acromelic acid A
A pyrrolidinecarboxylic acid that is siolated from the poisonous mushroom Clitocybe amoenolens.
Sulfadimethoxine
C12H14N4O4S (310.07357240000005)
Sulfadimethoxine (trade name Di-Methox, Albon) is a sulfonamide antibiotic. Sulfadimethoxine is used to treat many infections including treatment of respiratory, urinary tract, enteric, and soft tissue infections. It is most frequently used in veterinary medicine, although it is approved in some countries for use in humans. Sulfadimethoxine inhibits bacterial synthesis of folic acid (pteroylglutamic acid) from para-aminobenzoic acid. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides Long-acting sulfonamide, antibacterial agent. Potential food contaminant in animal products arising from its veterinary use C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
(E)-1-O-Cinnamoyl-beta-D-glucose
(E)-1-O-Cinnamoyl-beta-D-glucose is found in fruits. (E)-1-O-Cinnamoyl-beta-D-glucose is a constituent of Vaccinium vitis-idaea (cowberry)
4-(4'-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde
4-(4-O-Acetyl-alpha-L-rhamnosyloxy)benzaldehyde has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils as well as in herbs and spices. Isolated from Moringa oleifera (horseradish tree). 1-Pentadecanecarboxylic acid is found in fats and oils and herbs and spices.
(E)-2-O-Cinnamoyl-beta-D-glucopyranose
(E)-2-O-Cinnamoyl-beta-D-glucopyranose is found in green vegetables. (E)-2-O-Cinnamoyl-beta-D-glucopyranose is a constituent of commercial rhubarb, Rheum sp Constituent of commercial rhubarb, Rheum species (E)-2-O-Cinnamoyl-beta-D-glucopyranose is found in green vegetables.
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is found in fruits. 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is a constituent of the root bark of Garcinia livingstonei (imbe). Constituent of the root bark of Garcinia livingstonei (imbe). 6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one is found in fruits.
Mono-trans-p-coumaroylmesotartaric acid
trans-p-Coumaroyltartaric acid is found in alcoholic beverages. trans-p-Coumaroyltartaric acid is a constituent of grapes and wines Constituent of grapes and wines. trans-p-Coumaroyltartaric acid is found in alcoholic beverages, fruits, and common grape.
Aurantricholide B
Aurantricholide B is found in mushrooms. Aurantricholide B is a pigment isolated from the mushroom Suillus grevillei (larch bolete). Pigment isolated from the mushroom Suillus grevillei (larch bolete). Aurantricholide B is found in mushrooms.
4-Hydroxy-estazolam
4-Hydroxy-estazolam is a metabolite of estazolam. Estazolam (marketed under the brand names ProSom, Eurodin) is a benzodiazepine derivative drug developed by Upjohn in the 1970s. It possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. Estazolam is an intermediate-acting oral benzodiazepine. It is commonly prescribed for short-term treatment of insomnia. (Wikipedia)
Dihydroresveratrol 3-sulfate
C14H14O6S (310.05110640000004)
Dihydroresveratrol 4'-sulfate
C14H14O6S (310.05110640000004)
1-Oxoestazolam
2-[(4-Oxo-3-phenyl-4H-chromen-7-YL)oxy]propanoic acid
Mabuterol
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents
[(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-fluorophosphinic acid
S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine
Aplysinol
C15H19BrO2 (310.05683339999996)
7-(2,3-Dihydroxy-3-methylbutyloxy)-5-hydroxy-6-methoxycoumarin
10-Bromo-3-laurene-7,12-diol
C15H19BrO2 (310.05683339999996)
8,11-dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
Mabuterol
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents CONFIDENCE standard compound; INTERNAL_ID 1102
3-Benzo[b]furan-2-yl-2-(2-pyridylsulfonyl)acrylonitrile
C16H10N2O3S (310.04121100000003)
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide
4-Amino-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-5-pyrimidinecarbonitrile
C13H10N8S (310.07491000000005)
2-[(4-Chlorophenyl)sulfonyl]-3-piperidinoacrylonitrile
2H,6H-Pyrano(3,2-b)xanthen-6-one, 7,12-dihydroxy-2,2-dimethyl-
3,7-dimethylgalangin|5-hydroxy-3,7-dimethoxyflavone
(3R*,4S*,5E,8S*,10S*)-3,8-epoxy-3,4,13-trihydroxy-1-oxogermacra-5,7(11)-dien-6,12-olide|potamopholide
4-Amino-7-(b-D-ribofuranosyl)-7H-pyrrolo[2.3-d]pyrimidine-5-carboxylic acid
2,9-Dihydroxy-dibenz[a,h]anthracen|Dibenz[a,h]anthracen-2,9-diol|dibenz[a,h]anthracene-2,9-diol
7-hydroxy-4,8-dimethoxy-2-oxochromene-5,6-dicarboxylic acid
5-methoxy-6,7-methylenedioxycoumaronochromone|aervin B
2beta,3beta-dihydroxy-11beta,13-dihydrodeoxymikanolide
methyl (2R,3R,4R,4aS,7aR)-3-hydroxy-4-[(S)-1-hydroxyethyl]-5-oxo-3,4,4a,7a-tetrahydro-1H,5H-spiro[cyclopenta[c]pyran-7,2-furan]-4-carboxylate|plumeridoid C
(-)-(2R)-2-[(E)-caffeoyloxy]glutaric acid|(-)-(E)-caffeoyl-(R)-2-oxoglutarate|mercurialis acid
6-hydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]chromone
Picrotin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.508 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.502 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.503 Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
6-O-cinnamoyl-D-glucopyranose|6-O-cinnamoyl-D-glucopyranose|6-O-cinnamoylglucose
ortho-[(5-hydroxy)-cis-cinnamoyl]-trans-cinnamic acid
2-hydroxy-3-O-trans-p-coumaroyl-1,2-propanedicarboxylic acid
5-Hydroxy-6-methoxy-7-(2,3-dihydroxy-3-methylbutoxy)coumarin
(3E)-3-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-7-methoxy-4H-1-benzopyran-4-one
8-methoxy-6,7-methylenedioxycoumaronochromone|aervin A
sulfadimethoxine
C12H14N4O4S (310.07357240000005)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; INTERNAL_ID 2363 CONFIDENCE standard compound; INTERNAL_ID 8542 CONFIDENCE standard compound; EAWAG_UCHEM_ID 183 CONFIDENCE standard compound; INTERNAL_ID 1009
DIFLUBENZURON
C14H9ClF2N2O2 (310.03205879999996)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D07829 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5071; ORIGINAL_PRECURSOR_SCAN_NO 5069 INTERNAL_ID 492; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5071; ORIGINAL_PRECURSOR_SCAN_NO 5069 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5087; ORIGINAL_PRECURSOR_SCAN_NO 5086 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5048; ORIGINAL_PRECURSOR_SCAN_NO 5047 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5086; ORIGINAL_PRECURSOR_SCAN_NO 5085 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5077; ORIGINAL_PRECURSOR_SCAN_NO 5076 CONFIDENCE standard compound; INTERNAL_ID 492; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5076; ORIGINAL_PRECURSOR_SCAN_NO 5075 CONFIDENCE standard compound; INTERNAL_ID 3388 CONFIDENCE standard compound; INTERNAL_ID 2332 INTERNAL_ID 2332; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8458
2-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxybutanedioic acid
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate
C17H14N2O4_Spiro[3H-1,4-benzodiazepine-3,2-oxirane]-2,5(1H,4H)-dione, 3-(3-hydroxyphenyl)-4-methyl-, (3S,3R)
(3S,3R)-3-(3-hydroxyphenyl)-4-methylspiro[1H-1,4-benzodiazepine-3,2-oxirane]-2,5-dione
Lymphostin
A member of the class of pyrroloquinolines that is pyrrolo[4,3,2-de]quinoline in which the hydrogens at positions 4, 6 and 8 are replaced by (1E)-1-methoxy-3-oxoprop-1-en-3-yl, acetylamino and amino groups, respectively. It is an alkaloid isolated from Streptomyces and Salinispora species, exhibits potent immunosuppressive activity, and inhibits Fyn and Lck protein kinases.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based on: CCMSLIB00000848381]
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-phenylprop-2-enoate [IIN-based: Match]
2-Naphthalenepropanol, 6-methoxy-a-methyl-, hydrogen sulfate
(E)-1-O-Cinnamoyl-beta-D-glucose
(E)-2-O-Cinnamoyl-beta-D-glucopyranose
6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one
3-[[2-[4-(cyanomethyl)phenoxy]acetyl]amino]benzoic acid
[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methanol
C13H8F6O2 (310.04284599999994)
2-CHLORO-1-(4-TRIFLUOROMETHYL-BENZYL)-1H-BENZOIMIDAZOLE
N-(4-Nitrophenyl)-3-(trifluoromethyl)benzamide
C14H9F3N2O3 (310.05652399999997)
3-Bromo-4-(4-ethylcyclohexyl)benzoic acid
C15H19BrO2 (310.05683339999996)
2-(4-FLUOROPHENYL)-3-METHYLTHIO-4,5-DIHYDRO-2H-BENZO[G]INDAZOLE
2-(2-Bromo-3,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-BROMO-N-(2-(DIMETHYLAMINO)ETHYL)-1H-INDAZOLE-3-CARBOXAMIDE
Ethyl 6-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
Ethyl 7-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
(3,5-bis(trifluoromethyl)phenylethynyl)&
C13H12F6Si (310.06124239999997)
4-Chloro-7-(3-chloropropoxy)-3-cyano-6-methoxyquinoline
TERT-BUTYL 5-(BROMOMETHYL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
Methyl (3S)-4-bromo-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}bu tanoate
3-(BENZO[D][1,3]DIOXOL-5-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3,4-difluorophenyl)-2-methyl- (9CI)
DIETHYL FLUORO(PHENYLSULFONYL)METHYLPHOSPHONATE
C11H16FO5PS (310.04400680000003)
2,3,5,6-Tetrafluoro-4-(6-hydroxyhexyloxy)benzoic acid
tert-Butyl 5-bromo-6-methyl-1H-indazole-1-carboxylate
2-[2-(5-Nitro-furan-2-yl)-vinyl]-quinoline-4-carboxylic acid
5-Amino-2-chloro-N-(2,4-dimethylphenyl)-benzenesulfonamide
azane,(3,4,5,6-tetrahydroxythian-2-yl)methyl dihydrogen phosphate
C6H19N2O8PS (310.05997040000005)
Ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
C11H13F3N2O3S (310.0598944000001)
Methyl 1-(2-bromophenyl)-4-oxocyclohexanecarboxylate
methyl 1-(4-bromophenyl)-4-oxocyclohexane-1-carboxylate
5-bromo-4-(4-fluorophenyl)-6-propan-2-yl-1H-pyrimidin-2-one
C13H12BrFN2O (310.01169739999995)
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
1-(4-CHLORO-3-METHYLPHENYL)-3-(2,6-DICHLOROPHENYL)PROP-2-EN-1-ONE
Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
2,5-Dihydroxyphenyl(diphenyl)phosphine Oxide
C18H15O3P (310.07587700000005)
2,6-dichloro-N-(1-cyanocycloheptyl)benzamide
C15H16Cl2N2O (310.06396259999997)
trans-4-hydroxy-1-(4-nitrobenzyloxycarbonyl)-l-proline
Ethanone,1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]-, hydrochloride(1:?)
C12H17Cl3N2O (310.04064020000004)
ETHYL 4-HYDROXY-2-OXO-1-PHENYL-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
4-[(4-hydroxyphenyl)-phenylphosphoryl]phenol
C18H15O3P (310.07587700000005)
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-
C13H19BrN2Si (310.05007939999996)
TERT-BUTYL 5-(BROMOMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
2-(2-Hydroxy-1,1,1,3,3,3-hexafluoropropyl)-1-naphthol
C13H8F6O2 (310.04284599999994)
METHYL 4-(TRIFLUOROMETHYL)-6-(FURAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE
C14H9F3N2O3 (310.05652399999997)
ethyl 4-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate
C15H19BrO2 (310.05683339999996)
(1R,2R)-METHYL 2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLATE
dibutyl-chloro-prop-2-enylstannane
C11H23ClSn (310.05101779999995)
TERT-BUTYL 3-(BROMOMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
C12H14N4O4S (310.07357240000005)
4-(2-CHLORO-BENZYLOXY)-3-METHOXY-BENZOYL CHLORIDE
C15H12Cl2O3 (310.01634620000004)
Benzo[a]phenoxazin-7-ium,9-(dimethylamino)-, chloride (1:1)
1H-Inden-1-one,2,3-dihydro-2-[(5-pyrazinyl-1,3,4-oxadiazol-2-yl)thio]-(9CI)
C15H10N4O2S (310.05244400000004)
7-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-5-carbonitrile
C15H10N4O2S (310.05244400000004)
8-DIMETHYLAMINO-2,3-BENZOPHENOXAZINE HEMI(ZINC CHLORIDE) SALT
(chlorosulfanyl-diphenyl-methyl)benzene
C19H15ClS (310.05829400000005)
5-(4-METHYLSULFANYL-PHENYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
ETHYL 2-(6-CHLORO-2-(4-CHLOROPHENYL)PYRIMIDIN-4-YL)ACETATE
7-[3-(chlorodimethylsilyl)propoxy-4-methylcoumarin
C15H19ClO3Si (310.07919339999995)
2-(4-Methoxybenzyloxycarbonyloxyimino)-2-Phenylacetonitrile
Methyl 4-methoxy-2-(trifluoromethyl)-[1,1-biphenyl]-4-carboxylate
Diethyl(methyl)propylammonium Bis(fluorosulfonyl)imide
Sodium 2-hydroxy-6,7-dimethoxy-1,2,3,4-tetrahydro-naphthalene-2-sulfonate
C12H15NaO6S (310.04870100000005)
N-(2-(2-BROMO-5-METHOXY-1H-INDOL-3-YL)ETHYL)ACETAMIDE
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIMIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
4-[(2,6-DICHLOROBENZYL)OXY]-3-METHOXYBENZALDEHYDE
C15H12Cl2O3 (310.01634620000004)
2-(2-(2-Bromoethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,2-Ethanediamine, N2-[3-bromo-5-(trifluoromethyl)phenyl]-N1,N1-dimethyl
1,2-Ethanediamine, N2-[2-bromo-4-(trifluoromethyl)phenyl]-N1,N1-dimethyl-
1-Amino-4-methylamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacidmethylester
Methyl 1-(3-bromophenyl)-4-oxocyclohexanecarboxylate
1-[[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL]PIPERAZINE
C11H13F3N2O3S (310.0598944000001)
1-(Diphenylmethyl)-3-azetidinamine dihydrochloride
5-Methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trione
8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-ol
8-methylene-7-(phenylmethyl)-5H-[1,3]dioxolo[4,5-g]quinazoline-6-thione
N-{8-amino-4-[(2E)-3-methoxyprop-2-enoyl]pyrrolo[4,3,2-de]quinolin-6-yl}acetamide
[(8-methyl-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetic acid
5-(4-Morpholinylsulfonyl)-1H-indole-3-carboxylic acid
C13H14N2O5S (310.06233940000004)
4-methyl-N-[1-methyl-2-oxo-6-(trifluoromethyl)-3-pyridinyl]benzamide
1-[(2,4-Dichlorophenyl)methyl]-3-phenylthiourea
C14H12Cl2N2S (310.00982120000003)
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
2-[[3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio]acetic acid ethyl ester
2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
1,2-Benzenedicarboxylic acid, bis(trimethylsilyl) ester
(4s-trans)-4-(Methylamino)-5,6-dihydro-6-methyl-4h-thieno(2,3-b)thiopyran-2-sulfonamide-7,7-dioxide
4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}aniline
C14H19BrN2O (310.06806639999996)
[4-[5-(3-Chloroanilino)pyridin-3-yl]phenyl]methanol
(3aS-cis)-3a,12a-Dihydro-4,6-dihydroxy-5H-furo(3,2:4,5)furo(3,2-b)xanthen-5-one
[(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-fluorophosphinic acid
dihydroresveratrol-3-O-sulfate
C14H14O6S (310.05110640000004)
An organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.
2-Acetamido-3-(diethylcarbamothioyldisulfanyl)propanoic acid
Microdiplodiasol
A member of the class of xanthones that is 1,2,3,4,4a,9a-hexahydro-9H-xanthen-9-one substituted by hydroxy groups at positions 1, 4, 8 and 9a, a hydroxymethyl group at position 6 and a methyl group at position 4a. Isolated from the endophytic fungus Microdiplodia species, it exhibits antibacterial activity.
O2-[3-(trifluoromethyl)benzoyl]pyrazine-2-carbohydroximamide
(4Z)-4-(4-hydroxybenzylidene)-3-(3-nitrophenyl)isoxazol-5(4H)-one
3-[[(3-Methoxyphenyl)-oxomethyl]amino]-2-benzofurancarboxamide
1-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea
C13H15ClN4OS (310.06550500000003)
4-[[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]methyl]-2-nitrophenol
7-(4-Quinazolinyloxymethyl)-5-thiazolo[3,2-a]pyrimidinone
C15H10N4O2S (310.05244400000004)
6-methoxy-2-oxo-N-(3-pyridinylmethyl)-1-benzopyran-3-carboxamide
2-[[1-(4-Chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-methylamino]acetic acid methyl ester
3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
1-(2-Chlorophenyl)-3-[(2-chlorophenyl)methyl]thiourea
C14H12Cl2N2S (310.00982120000003)
9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-4-one
N-(furan-2-ylmethyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
(5Z)-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
4-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
3-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
4-(1,3-dioxo-2-isoindolyl)-N-(2-hydroxyethyl)benzamide
2-furancarboxylic acid (7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester
(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
(6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
6-(2-Carboxy-3-hydroxy-2-methylpropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxyoxane-2-carboxylic acid
6-(1-Benzofuran-4-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[(Z)-[3-hydroxy-4-(4-hydroxyphenyl)-5-oxofuran-2-ylidene]methyl]cyclohexa-3,5-diene-1,2-dione
N-Acetyl-4-(3-methoxyacryloyl)pyrrolo[4,3,2-de]quinoline-6,8-diamine
1-Acetyl-3-(4-nitrophenyl)-4-(pyridin-2-yl)-2-pyrazoline
1-Acetyl-4-(4-nitrophenyl)-3-(pyridin-2-yl)-2-pyrazoline
12-Bromo-15-hydroxybicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one
C15H19BrO2 (310.05683339999996)
Pikrotin
Picrotin is an organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. It has a role as a plant metabolite. It is an organic heteropentacyclic compound, an epoxide, a tertiary alcohol, a gamma-lactone, a diol and a picrotoxane sesquiterpenoid. It is functionally related to a picrotoxinin. Picrotin is a natural product found in Dendrobium moniliforme and Anamirta cocculus with data available. An organic heteropentacyclic compound that is picrotoxinin in which the olefinic double bond has undergone addition of water to give the corresponding tertiary alcohol. It is the less toxic component of picrotoxin, lacking GABA activity. C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2]. Picrotin is an active compound, also is one of the composition of picrotoxin (an antagonist of GABAA receptors (GABAARs) and glycine receptors (GlyRs)). Picrotin has sensitivity for GlyRs/b> with IC50 values range from 5.2 μM to 106 μM. Picrotin can be used for the research of neurotransmission[1][2].
SULFADOXINE
C12H14N4O4S (310.07357240000005)
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-phenylprop-2-enoate
phenguignardic acid
A member of the class of dioxolanes that is 1,3-dioxolane substituted by a carboxy, benzyl and benzylidene groups at positions 2, 2 and 4, respectively. It is a phytotoxic metabolite of the grape black rot fungus Guignardia bidwellii.
GK187
C14H15F5O2 (310.09921499999996)
GK187 is a potent and selective Group VIA calcium-independent phospholipase A2 (GVIA iPLA2) inhibitor with an XI(50) value of 0.0001. GK187 can be used for researching various neurological disorders[1]. [The XI(50) is the mole fraction of the inhibitor in the total substrate interface required to inhibit the enzyme by 50\%.]
HTL14242
HTL14242 (HTL0014242) is an advanced and orally active mGlu5 NAM with a pKi?and a pIC50 of 9.3 and 9.2, respectively[1]. HTL14242 can be used for the research of parkinson’s disease[2].
VAS 3947
C14H10N6OS (310.06367700000004)
VAS 3947, a specific NADPH oxidase (NOX) inhibitor, exerts a potent antiplatelet effect. VAS3947 induces apoptosis independently of anti-NOX activity, via UPR activation, mainly due to aggregation and misfolding of proteins[1][2].
3-{4-[(3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}prop-2-enoic acid
6,9-dihydroxy-2,11-dimethyl-4,8,14-trioxapentacyclo[7.4.2.1⁷,¹⁰.0¹,¹⁰.0²,⁶]hexadecane-5,15-dione
5-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-hydroxypyridine-2-carboxylic acid
(1r,2r,3s,7r,8s,11r,13r,14s)-2,7-dihydroxy-3,14-dimethyl-5,9,12-trioxapentacyclo[6.6.1.1²,¹³.0¹,¹¹.0³,⁷]hexadecane-6,10-dione
1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione
7-[(2r)-2,3-dihydroxy-3-methylbutoxy]-5-hydroxy-6-methoxychromen-2-one
7-hydroxy-8-methoxy-3-[(1s,2r)-1,2,3-trihydroxy-3-methylbutyl]chromen-2-one
n-{11-amino-6-[(2e)-3-methoxyprop-2-enoyl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),10-pentaen-9-ylidene}acetamide
2,7-dihydroxy-3,14-dimethyl-5,9,12-trioxapentacyclo[6.6.1.1²,¹³.0¹,¹¹.0³,⁷]hexadecane-6,10-dione
1,1,5,10-tetraoxo-2h,3h,4h,6h,7h-1λ⁶-[1,4]thiazino[2,3-g]quinoline-7-carboxylic acid
C12H10N2O6S (310.02595600000006)
(1r,2s,5r,6s,10r,11s,14r)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-3-ene-9,13-dione
4,5,8-trihydroxy-2-(hydroxymethyl)-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
5-hydroxy-3,7-dimethoxy-2-phenylnaphthalene-1,4-dione
(3r,4as,5r,10as)-3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(3e)-3-(2h-1,3-benzodioxol-5-ylmethylidene)-7-methoxy-2h-1-benzopyran-4-one
methyl 8-hydroxy-1,3-dimethyl-9,10-dioxoanthracene-2-carboxylate
2-hydroxy-3'-(3-hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxiran]-5-one
7,9-dihydroxy-4-(2-hydroxypropyl)-8-methoxy-4,5-dihydro-1h-3-benzoxocine-2,6-dione
methyl (2e)-3-(2-{[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)prop-2-enoate
2-benzyl-4-oxo-5-(phenylmethylidene)-1,3-dioxolane-2-carboxylic acid
1,5,8,8a-tetrahydroxy-3-(hydroxymethyl)-10a-methyl-5,6,7,8-tetrahydroxanthen-9-one
1,2-dehydroneomajucin
{"Ingredient_id": "HBIN000778","Ingredient_name": "1,2-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1=CCC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4951","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11141421","DrugBank_id": "NA"}
1-(4-Coumaroyl)alpha-rhamnopyranose
{"Ingredient_id": "HBIN001396","Ingredient_name": "1-(4-Coumaroyl)alpha-rhamnopyranose","Alias": "(E)-3-(4-hydroxyphenyl)prop-2-enoic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl] ester; 1-Carp; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; alpha-L-Mannopyranose, 6-deoxy-, 1-(3-(4-hydroxyphenyl)-2-propenoate), (E)-; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; 102719-86-8; [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate; (E)-3-(4-hydroxyphenyl)acrylic acid [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl] ester","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C(C(C(C(O1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)O","Ingredient_weight": "310.3","OB_score": "25.76914445","CAS_id": "102719-86-8","SymMap_id": "SMIT13680","TCMID_id": "NA","TCMSP_id": "MOL012968","TCM_ID_id": "NA","PubChem_id": "6438942","DrugBank_id": "NA"}
1-o-cis-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN002864","Ingredient_name": "1-o-cis-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3704","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-o-trans-cinnamoyl-β-d-glucopyranose
{"Ingredient_id": "HBIN002933","Ingredient_name": "1-o-trans-cinnamoyl-\u03b2-d-glucopyranose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3705","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dehydroneomajucin
{"Ingredient_id": "HBIN003957","Ingredient_name": "2,3-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C=CC2(C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4952","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Cinnamoyl-glucose
{"Ingredient_id": "HBIN005460","Ingredient_name": "2-Cinnamoyl-glucose","Alias": "2-cinnamoyl-glucose; (E)-3-phenylacrylic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl] ester; (E)-3-phenylprop-2-enoic acid [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl] ester; [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] (E)-3-phenylprop-2-enoate; [(2R,3R,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-phenylprop-2-enoate","Ingredient_formula": "C15H18O7","Ingredient_Smile": "C1=CC=C(C=C1)C=CC(=O)C(C=O)(C(C(C(CO)O)O)O)O","Ingredient_weight": "310.3 g/mol","OB_score": "17.0231529","CAS_id": "NA","SymMap_id": "SMIT04518;SMIT14680","TCMID_id": "3706","TCMSP_id": "MOL002232","TCM_ID_id": "NA","PubChem_id": "129650403","DrugBank_id": "NA"}
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-e-cinnamoyl)
{"Ingredient_id": "HBIN005727","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-e-cinnamoyl)","Alias": "NA","Ingredient_formula": "C14H14O8","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "81476-15-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8626","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (ξ)-form,1'-o-(4-hydroxy-z-cinnamoyl)
{"Ingredient_id": "HBIN005728","Ingredient_name": "2-hydroxy-2-(hydroxymethyl)butanedioic acid,9ci; (\u03be)-form,1'-o-(4-hydroxy-z-cinnamoyl)","Alias": "NA","Ingredient_formula": "C14H14O8","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "81474-66-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8625","PubChem_id": "NA","DrugBank_id": "NA"}
2-oxo-6-deoxyneoanisatin
{"Ingredient_id": "HBIN006278","Ingredient_name": "2-oxo-6-deoxyneoanisatin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-hydroxy-3,4-dehydroneomajucin
{"Ingredient_id": "HBIN006812","Ingredient_name": "(2s)-hydroxy-3,4-dehydroneomajucin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C(C=C2C13CC(C4(C2(COC4=O)C)O)OC(=O)C3O)O","Ingredient_weight": "310.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9974","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21629990","DrugBank_id": "NA"}
3-oxo-6-deoxyneoanisatin
{"Ingredient_id": "HBIN009409","Ingredient_name": "3-oxo-6-deoxyneoanisatin","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16300","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6- o -cinnamoylglucose
{"Ingredient_id": "HBIN012652","Ingredient_name": "6- o -cinnamoylglucose","Alias": "NA","Ingredient_formula": "C15H18O7","Ingredient_Smile": "NA","Ingredient_weight": "310.3","OB_score": "NA","CAS_id": "64461-84-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7637","PubChem_id": "NA","DrugBank_id": "NA"}
aristololide; 9-hydroxy
{"Ingredient_id": "HBIN016825","Ingredient_name": "aristololide; 9-hydroxy","Alias": "NA","Ingredient_formula": "C17H10O6","Ingredient_Smile": "NA","Ingredient_weight": "310.26","OB_score": "NA","CAS_id": "169217-50-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6654","PubChem_id": "NA","DrugBank_id": "NA"}
aristolophenanlactone i
{"Ingredient_id": "HBIN016828","Ingredient_name": "aristolophenanlactone i","Alias": "NA","Ingredient_formula": "C17H10O6","Ingredient_Smile": "COC1=CC=CC2=C3C4=C(C(=C21)O)OC(=O)C4=CC5=C3OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1724","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-acetyl-3-hydroxy-8-methoxy-1-methylanthracene-9,10-dione
2-methoxy-6-methyl-4-oxooxan-3-yl 2,4-dihydroxy-6-methylbenzoate
(1s,4s,5r,6r,7s,8r,10r,12r)-5,8-dihydroxy-12-methyl-2-oxo-6-(prop-1-en-2-yl)-3,11-dioxatetracyclo[6.3.1.0¹,¹⁰.0⁴,¹²]dodecane-7-carboxylic acid
{4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-9-yl}methanol
C15H19BrO2 (310.05683339999996)
2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
(4s,6s)-6,9,11-trihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
(1r,2s,3r,6r,10r,11r,14r)-3,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-4-ene-9,13-dione
5,6,9,10-tetrahydroxyphenanthro[9,10-b]furan-2-carbaldehyde
[(2s)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-8-methoxy-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(5r,6s)-5,6,12-trihydroxy-5-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one
(2e)-3-(2-{[(2z)-3-(2-hydroxyphenyl)prop-2-enoyl]oxy}phenyl)prop-2-enoic acid
7-hydroxy-8-methoxy-3-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one
5-hydroxy-11-methoxy-2-methyl-8h,9h-indeno[5,6-h]chromene-4,10-dione
3-{[(1e)-2-[(1-hydroxyethylidene)amino]ethenyl]sulfanyl}-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(3ar,4s,6as,9r,9as,9bs)-6a,9-dihydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
6,12-dihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.0¹,⁶.0⁴,¹⁵.0¹⁰,¹⁴]hexadecane-7,11-dione
[(1r,9s,12r)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-9-yl]methanol
C15H19BrO2 (310.05683339999996)
3-(4-hydroxyphenyl)-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-en-1-one
3-(2-{[3-(2-hydroxyphenyl)prop-2-enoyl]oxy}phenyl)prop-2-enoic acid
methyl (1s,4s,4as,7r,7as)-1-hydroxy-4'-[(1s)-1-hydroxyethyl]-5'-oxo-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
7,11-dihydroxy-2,2-dimethylisochromeno[3,4-f]chromen-6-one
2-(2h-1,3-benzodioxol-5-yl)-7-methoxy-3-methyl-1-benzofuran-5-carbaldehyde
5-[5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-hydroxypyridine-2-carboxylic acid
6,7-dihydroxy-3-(hydroxymethyl)-2-[(2r)-2-hydroxypropyl]-4-oxochromene-5-carboxylic acid
n-{11-amino-6-[(2e)-3-methoxyprop-2-enoyl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),2,4,6,8,10-hexaen-9-yl}ethanimidic acid
7-hydroxy-2-methyl-4-oxo-3-phenylchromen-8-yl acetate
9,12-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
methyl 1-hydroxy-4'-(1-hydroxyethyl)-5'-oxo-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
(3r,4ar,5r,10ar)-3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
7-[(2s)-2,3-dihydroxy-3-methylbutoxy]-5-hydroxy-6-methoxychromen-2-one
3-hydroxy-2-{1-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]ethyl}-6-(hydroxymethyl)pyran-4-one
4-methanesulfinyl-5-{pyrido[3,4-b]indol-9-ylmethyl}-3h-imidazole
1,5-dihydroxy-14-isopropyl-13-methyl-3,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0²,⁴.0⁵,¹³]tetradecane-6,11-dione
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-phenylprop-2-enoate
3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
7-(2,3-dihydroxy-3-methylbutoxy)-5-hydroxy-6-methoxychromen-2-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2z)-3-phenylprop-2-enoate
5,10-dihydroxy-2,2-dimethyl-1,7-dioxatetraphen-9-one
methyl 1-hydroxy-3,7-dimethyl-9,10-dioxoanthracene-2-carboxylate
5,8-dihydroxy-12-methyl-2-oxo-6-(prop-1-en-2-yl)-3,11-dioxatetracyclo[6.3.1.0¹,¹⁰.0⁴,¹²]dodecane-7-carboxylic acid
(1r,3r,5s,8s,9r,12s,13r)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione
(3s,3's)-2-hydroxy-3'-(3-hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxiran]-5-one
methyl (3r,4r,4as,7r,7ar)-3-hydroxy-4'-[(1s)-1-hydroxyethyl]-5'-oxo-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
5,6,12-trihydroxy-5-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),9,11-tetraen-3-one
9,11-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(2e)-3-(4-hydroxyphenyl)-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]prop-2-en-1-one
9,12-dihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
13-methoxy-3-oxo-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(15),4(16),5,7,11,13-hexaen-6-yl acetate
8,11-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
(3r,4as,5s,10ar)-3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(2'r,5's,7'r,8's,11'r)-5',11'-dihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-3',4,10'-trione
methyl (1r,4s,4as,7r,7as)-1-hydroxy-4'-[(1s)-1-hydroxyethyl]-5'-oxo-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
2-chloro-9-(4-methoxy-6-oxo-2,3-dihydropyran-2-yl)nona-2,4,6,8-tetraenoic acid
[(2r)-7-hydroxy-2-[(2s)-2-hydroxypropyl]-8-methoxy-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(2s,3s,4s)-4,5,8-trihydroxy-2-(hydroxymethyl)-6-methoxy-3-(2-oxopropyl)-3,4-dihydro-2h-naphthalen-1-one
(4r,8s)-2,18-dihydroxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
6,7-dihydroxy-3-(hydroxymethyl)-2-(2-hydroxypropyl)-4-oxochromene-5-carboxylic acid
(4r,5r)-4-benzoyl-3,4,5-trihydroxy-2-phenylcyclopent-2-en-1-one
(2s)-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid
5-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-phenylpyrrol-2-one
(3r,3's)-2-hydroxy-3'-(3-hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxiran]-5-one
[(2r,3s,4s,5r,6s)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (2e)-3-phenylprop-2-enoate
(3r,4as,5r,10ar)-3,5,6,9-tetrahydroxy-7-methoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(2r,3r,4s,5s,6r)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-phenylprop-2-enoate
[7-hydroxy-2-(2-hydroxypropyl)-8-methoxy-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid
(2z)-3-hydroxy-1-(4-methoxy-1-benzothiophen-5-yl)-3-phenylprop-2-en-1-one
3-(2h-1,3-benzodioxol-5-ylmethylidene)-7-methoxy-2h-1-benzopyran-4-one
8,12-dihydroxy-2,2-dimethyl-1,10-dioxatetraphen-5-one
8,9-dihydroxy-3-(hydroxymethyl)-8,12-dimethyl-5,14-dioxatricyclo[7.4.1.0²,⁶]tetradeca-2,6-diene-4,11-dione
6a,9-dihydroperoxy-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-phenylprop-2-enoate
5,8-dihydroxy-2-(hydroxymethyl)-3-(2-hydroxypropyl)-6-methoxy-2,3-dihydronaphthalene-1,4-dione
(1s,2r,4s,6r,9r,10r,14s,15r)-10,15-dihydroxy-2,14-dimethyl-5,8,12-trioxapentacyclo[7.6.1.0¹,⁶.0⁴,¹⁵.0¹⁰,¹⁴]hexadecane-7,11-dione
(2s)-4,7-dihydroxy-2-(prop-1-en-2-yl)-2h,3h-furo[3,2-b]xanthen-5-one
(2z,4e,6e,8e)-2-chloro-9-[(2s)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]nona-2,4,6,8-tetraenoic acid
2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}butanedioic acid
[(1r,9s,12s)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-9-yl]methanol
C15H19BrO2 (310.05683339999996)
(1r,8r,9s,12r)-8,9-dihydroxy-3-(hydroxymethyl)-8,12-dimethyl-5,14-dioxatricyclo[7.4.1.0²,⁶]tetradeca-2,6-diene-4,11-dione
2-hydroxy-2-({[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioic acid
4-[(s)-methanesulfinyl]-5-{pyrido[3,4-b]indol-9-ylmethyl}-3h-imidazole
(2s,3r)-5,8-dihydroxy-2-(hydroxymethyl)-3-[(2r)-2-hydroxypropyl]-6-methoxy-2,3-dihydronaphthalene-1,4-dione
n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]ethanimidic acid
n-{11-imino-6-[(2e)-3-methoxyprop-2-enoyl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl}ethanimidic acid
5,8-dihydroxy-2,2-dimethyl-1,11-dioxatetracen-6-one
3-[5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-hydroxypyridine-2-carboxylic acid
(1's,2's,3r,5'r,7's,8'r,11'r)-5',11'-dihydroxy-2',7'-dimethyl-9'-oxaspiro[oxetane-3,6'-tricyclo[6.3.1.0¹,⁵]dodecane]-3',4,10'-trione
methyl (1r,4r,4ar,7r,7as)-1-hydroxy-4'-[(1r)-1-hydroxyethyl]-5'-oxo-3,4,4a,7a-tetrahydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
(2s)-2-hydroxy-2-({[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioic acid
6,11-dihydroxy-2,2-dimethyl-1,5-dioxatetraphen-10-one
[(1s,9r,12s)-4-bromo-1,5,12-trimethyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2(7),3,5-trien-9-yl]methanol
C15H19BrO2 (310.05683339999996)
6,9,11-trihydroxy-10-methoxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
(2r)-2-[(1r,3s,4s,7s,11s)-4-hydroxy-8-(methoxycarbonyl)-2,10-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-5,8-dien-3-yl]butanoic acid
7,12-dihydroxy-2,2-dimethyl-1,11-dioxatetracen-6-one
(1s,5r,6s,10r,11r,14r)-5,10,14-trihydroxy-2,6-dimethyl-8,12-dioxatetracyclo[9.3.1.0¹,⁵.0⁶,¹⁰]pentadec-2-ene-9,13-dione
methyl 1-hydroxy-3,6-dimethyl-9,10-dioxoanthracene-2-carboxylate
(3'r)-2-hydroxy-3'-(3-hydroxyphenyl)-4-methylspiro[1,4-benzodiazepine-3,2'-oxiran]-5-one
8,11-dihydroxy-2,2-dimethyl-1,12-dioxatetraphen-7-one
3-[(3s,4s,5s)-5-carboxy-4-(carboxymethyl)pyrrolidin-3-yl]-6-hydroxypyridine-2-carboxylic acid
(2s)-2-hydroxy-2-({[(2z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)butanedioic acid
(5r,6s,7r,8r)-5,6,7,8,9-pentahydroxy-1-phenylnon-1-ene-3,4-dione
2-(3,4-dihydroxyphenyl)-3-hydroxyfuro[2,3-h]chromen-4-one
(2e)-3-(4-hydroxyphenyl)prop-2-enoyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 8-methoxy-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
(1r,3r,5s,7r)-9-bromo-10,10-dimethyl-11-methylidene-3-(prop-1-en-2-yl)-4,6-dioxatricyclo[5.3.1.0¹,⁵]undec-8-ene
C15H19BrO2 (310.05683339999996)