Exact Mass: 310.0828172
Exact Mass Matches: 310.0828172
Found 500 metabolites which its exact mass value is equals to given mass value 310.0828172,
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
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
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
Glutamyltyrosine
Glutamyltyrosine is a dipeptide composed of glutamate and tyrosine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyltyrosine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glutamyltyrosine, also known as alpha-glu-tyr or E-Y, is a member of the class of compounds known as dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Glutamyltyrosine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Glutamyltyrosine can be found in soy bean, which makes glutamyltyrosine a potential biomarker for the consumption of this food product. Glutamyltyrosine can be found primarily in feces.
Gamma-glutamyltyrosine
gamma-Glutamyltyrosine is a dipeptide composed of gamma-glutamate and tyrosine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamyltyrosine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].
(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.
Tyrosyl-Glutamate
Tyrosyl-Glutamate is a dipeptide composed of tyrosine and glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
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
S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine
Valine-betaxanthin
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
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
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
1-{2-[(1E)-1-(5-chloro-1H-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-2-methylbutane-1,3-diol|Pyrronazol C1
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
gamma-Glutamyltyrosine
γ-Glu-Tyr, a competitive inhibitor of dipeptidyl peptidase-IV (DPP-IV) (IC50=6.77 mM), is a potentially functional component of the type 2 diabetes diet[1].
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)
gamma-Glu-tyr
A dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage.
(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
2,5-di(dodecan-2-yl)benzene-1,4-diol
C20H16F2O (310.11691499999995)
2-CHLORO-1-(4-TRIFLUOROMETHYL-BENZYL)-1H-BENZOIMIDAZOLE
ethyl 2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C15H20BClO4 (310.11431000000005)
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
Ethyl 6-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
Ethyl 7-chloro-4-hydroxy-5,8-dimethoxy-2-naphthoate
2,6-Bis(4-fluorobenzylidene)cyclohexanone
C20H16F2O (310.11691499999995)
(3,5-bis(trifluoromethyl)phenylethynyl)&
C13H12F6Si (310.06124239999997)
Methyl (3S)-4-bromo-3-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}bu tanoate
Pyrimido[1,2-a]benzimidazol-4-amine, N-(3,4-difluorophenyl)-2-methyl- (9CI)
2,3,5,6-Tetrafluoro-4-(6-hydroxyhexyloxy)benzoic acid
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)
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
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
3-(4-butylphenyl)-2-sulfanylidene-1H-quinazolin-4-one
C18H18N2OS (310.11397780000004)
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)
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)
dibutyl-chloro-prop-2-enylstannane
C11H23ClSn (310.05101779999995)
ethyl 5-amino-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
C12H14N4O4S (310.07357240000005)
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
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)
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIMIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
4-[CARBOXY-(4-METHOXY-PHENYL)-METHYL]-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTERHYDROCHLORIDE
2-(2-(2-Bromoethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-Amino-4-methylamino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacidmethylester
5-(1-Piperazinyl)-2-benzofurancarboxylic acid ethyl ester hydrochloride
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
8-methoxy-N-(6-methylpyridin-2-yl)-2-oxo-2H-chromene-3-carboxamide
6-Methoxy-4-methyl-2-[(2-methylphenyl)methylthio]quinazoline
C18H18N2OS (310.11397780000004)
4-Hydroxy-3-nitrophenylacetyl-epsilon-aminocaproic acid
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
(5s)-2-{[(1s)-1-(4-Fluorophenyl)ethyl]amino}-5-(1-Hydroxy-1-Methylethyl)-5-Methyl-1,3-Thiazol-4(5h)-One
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
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.
4-Amino-5-(2-amino-3-phenylpropanoyl)peroxy-5-oxopentanoic acid
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)
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
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
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-methylbenzamide
C18H18N2OS (310.11397780000004)
2,7-Diamino-3-[(2-fluorophenyl)diazenyl]-5-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-5-thieno[3,2-b]pyrrolyl)methanone
C18H18N2OS (310.11397780000004)
N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester
(2R,3R,4S)-1-(2-fluorobenzoyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
C18H15FN2O2 (310.11175019999996)
(2S,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
(2R,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
3-(4-Tert-butylanilino)-2-(thiophene-3-carbonyl)prop-2-enenitrile
C18H18N2OS (310.11397780000004)
(2S,3R,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
(2S,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
(2R,3R,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
(2R,3S,4R)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
C18H15FN2O2 (310.11175019999996)
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\%.]
ML254
C18H15FN2O2 (310.11175019999996)
ML254 is a potent mGlu5 potentiator, with EC50 and pEC50 of 9.3 nM and 8.03 nM for rat mGlu5, respectively. ML254 can be used for researching schizophrenia[1]. ML254 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
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
(2s,4e)-4-[(2e)-2-[(4-carboxybutyl)imino]ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
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
(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
n-[(2s,3r)-1-ethoxy-3-hydroxy-1-oxobutan-2-yl]-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic acid
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
(2s,4e)-4-{2-[(2s)-2-carboxypyrrolidin-1-yl]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic 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
[(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
1-{2-[1-(5-chloro-1h-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-2-methylbutane-1,3-diol
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
(2s)-2-amino-4-{[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
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
2-{[2-amino-3-(3-formyl-4-hydroxyphenyl)-1-hydroxypropylidene]amino}-3-hydroxybutanoic 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
1-{2-[(2e)-4-hydroxy-4-(methoxymethyl)-1-methyl-5-oxopyrrolidin-2-ylidene]acetyl}-4-methoxy-5h-pyrrol-2-one
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
(4s)-4-amino-4-{[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]-c-hydroxycarbonimidoyl}butanoic acid
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
1-{2-[(1z)-1-(5-chloro-1h-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-2-methylbutane-1,3-diol
6,7-dihydroxy-3-(hydroxymethyl)-2-(2-hydroxypropyl)-4-oxochromene-5-carboxylic acid
n-(1-ethoxy-3-hydroxy-1-oxobutan-2-yl)-2-hydroxy-3-[(hydroxymethylidene)amino]benzenecarboximidic 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
4-[2-(2-carboxypyrrolidin-1-yl)ethylidene]-2,3-dihydro-1h-pyridine-2,6-dicarboxylic 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
(2s,3r)-2-{[(2s)-2-amino-3-(3-formyl-4-hydroxyphenyl)-1-hydroxypropylidene]amino}-3-hydroxybutanoic acid
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
1-{2-[(1e)-1-(5-chloro-1h-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-2-methylbutane-1,3-diol
(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
4-{2-[(4-carboxybutyl)imino]ethylidene}-2,3-dihydro-1h-pyridine-2,6-dicarboxylic acid
(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
(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)
