Exact Mass: 314.0961582
Exact Mass Matches: 314.0961582
Found 500 metabolites which its exact mass value is equals to given mass value 314.0961582,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vanilloside
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Vanilloside is found in cereals and cereal products. Vanilloside is isolated from oat Isolated from oats. Vanilloside is found in oat and cereals and cereal products. Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
Pyraclonil
The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
7,8-Dihydropteroic acid
In the mammalian host, dihydrofolate biosynthesis occurs via the reduction of folic acid, whereas in plasmodia (e.g. Plasmodium berghei, a malaria parasite) the biosynthesis of 7,8-dihydropteroate, an intermediate product in dihydrofolate synthesis, occurs via the enzymic catalysis of the reaction of 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine pyrophosphate with p-aminobenzoate. Malaria parasites synthesize their folate cofactors de novo and the antimalarial action of sulfonamides is due to their inhibiting the plasmodial dihydropteroate synthesis. The enzymes 6-hydroxymethylpterin pyrophosphokinase (EC 2.7.6.3, HPPK) and dihydropteroate synthase (EC 2.5.1.15, DHPS) catalyze sequential steps in folate biosynthesis. They are present in microorganisms but absent in mammals and therefore are especially suitable targets for antimicrobials. Sulfa drugs (sulfonamides and sulfones) currently are used as antimicrobials targeting DHPS, although resistance to these drugs is increasing. An NADPH-coupled microplate photometric assay could be used for rapid screening of chemical libraries for novel inhibitors of folate biosynthesis as the first step in developing new antimicrobial drugs targeting the folate biosynthetic pathway; in the microplate, the product of the DHPS reaction, 7,8-dihydropteroic acid, is reduced to tetrahydropteroate by excess dihydrofolate reductase (DHFR) using the cofactor NADPH (PMID: 17134675, 4354403, 3546688). 7,8-dihydropteroic acid, also known as dihydropteroinsaeure or h2pte, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 7,8-dihydropteroic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydropteroic acid can be synthesized from pteroic acid. 7,8-dihydropteroic acid can also be synthesized into 2-hydroxy-7,8-dihydropteroic acid. 7,8-dihydropteroic acid can be found in a number of food items such as rice, towel gourd, cauliflower, and silver linden, which makes 7,8-dihydropteroic acid a potential biomarker for the consumption of these food products. 7,8-dihydropteroic acid exists in all living species, ranging from bacteria to humans. In humans, 7,8-dihydropteroic acid is involved in the pterine biosynthesis.
Sulbentine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Same as: D01335
[(2S)-1-hydroxy-3-phosphonooxypropan-2-yl] (2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoate
C9H19N2O8P (314.08789840000003)
NS-398
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Sulfaphenazole
Sulfaphenazole is only found in individuals that have used or taken this drug. Sulfaphenazole is a sulfonamide antibacterial. In bacteria, antibacterial sulfonamides act as competitive inhibitors of the enzyme dihydropteroate synthetase (DHPS), an enzyme involved in folate synthesis. As such, the microorganism will be "starved" of folate and die. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
6-O-Acetylarbutin
Constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea). 6-O-Acetylarbutin is found in many foods, some of which are fruits, pear, pomes, and cereals and cereal products. 6-O-Acetylarbutin is found in cereals and cereal products. 6-O-Acetylarbutin is a constituent of the leaves of immature pear (Pyrus communis) and mountain cranberry (Vaccinium vitis-idaea).
2',5-Dihydroxy-4',7-dimethoxyisoflavone
2,5-Dihydroxy-4,7-dimethoxyisoflavone is found in pulses. 2,5-Dihydroxy-4,7-dimethoxyisoflavone is isolated from Cajanus cajan (pigeon pea) (fungus-infected stems). Isolated from Cajanus cajan (pigeon pea) (fungus-infected stems). 2,5-Dihydroxy-4,7-dimethoxyisoflavone is found in pulses.
2-Hydroxyphenylacetic acid O-b-D-glucoside
2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits. 2-Hydroxyphenylacetic acid O-b-D-glucoside is a constituent of the roots of Phyllanthus emblica (emblic). Constituent of the roots of Phyllanthus emblica (emblic). 2-Hydroxyphenylacetic acid O-b-D-glucoside is found in fruits.
5-Hydroxy-7,8-dimethoxyflavonol
5-Hydroxy-7,8-dimethoxyflavonol is found in herbs and spices. 5-Hydroxy-7,8-dimethoxyflavonol is isolated from above-ground parts of Helichrysum italicum (curry plant
2-O-Acetylarbutin
2-O-Acetylarbutin is found in fruits. 2-O-Acetylarbutin is a constituent of Vaccinium vacillans (blueberry). Constituent of Vaccinium vacillans (blueberry). 2-O-Acetylarbutin is found in fruits.
2-Methoxycarbonylphenyl beta-D-glucopyranoside
2-Methoxycarbonylphenyl beta-D-glucopyranoside is found in fruits. 2-Methoxycarbonylphenyl beta-D-glucopyranoside is a constituent of purple passion fruit (Passiflora edulis) and other Passiflora species. Constituent of purple passion fruit (Passiflora edulis) and other Passiflora subspecies Methyl salicylate glucoside is found in fruits.
4',5-Dihydroxy-3',7-dimethoxyisoflavone
4,5-Dihydroxy-3,7-dimethoxyisoflavone is found in green vegetables. 4,5-Dihydroxy-3,7-dimethoxyisoflavone is a constituent of Pterocarpus soyauxii. Constituent of Pterocarpus soyauxii. 4,5-Dihydroxy-3,7-dimethoxyisoflavone is found in green vegetables.
(S)-Mandelic acid O-beta-D-Glucopyranoside
(S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits. (S)-Mandelic acid O-beta-D-Glucopyranoside is a constituent of Sambucus nigra (elderberry). Constituent of Sambucus nigra (elderberry). (S)-Mandelic acid O-beta-D-Glucopyranoside is found in fruits.
4',7-Dihydroxy-2',5-dimethoxyisoflavone
4,7-Dihydroxy-2,5-dimethoxyisoflavone is found in pulses. 4,7-Dihydroxy-2,5-dimethoxyisoflavone is from Phaseolus coccineus (scarlet runner bean
Tyrosol glucuronide
(3S,7R)-16-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-one
Fenleuton
C17H15FN2O3 (314.10666519999995)
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide
Butylcarbamoyl-(4-methylphenyl)sulfonylcarbamic acid
5,7-Dihydroxy-3,6-dimethoxyflavone
5,7-dihydroxy-3,6-dimethoxyflavone is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, 5,7-dihydroxy-3,6-dimethoxyflavone is considered to be a flavonoid lipid molecule. 5,7-dihydroxy-3,6-dimethoxyflavone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,7-dihydroxy-3,6-dimethoxyflavone can be found in mandarin orange (clementine, tangerine), which makes 5,7-dihydroxy-3,6-dimethoxyflavone a potential biomarker for the consumption of this food product.
Irisolidone
Irisolidone is a member of 4-methoxyisoflavones. Irisolidone is a natural product found in Dalbergia sissoo, Wisteria brachybotrys, and other organisms with data available. Irisolidone is a major isoflavone found in Pueraria lobata flowers. Irisolidone exhibits potent hepatoprotective activity. Irisolidone shows the high efficacy for volume-regulated anion channels (VRAC) blockade (IC50=9.8 μM)[1][2][3]. Irisolidone is a major isoflavone found in Pueraria lobata flowers. Irisolidone exhibits potent hepatoprotective activity. Irisolidone shows the high efficacy for volume-regulated anion channels (VRAC) blockade (IC50=9.8 μM)[1][2][3].
Velutin
Velutin is a dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3 are replaced by methoxy groups. It has a role as an anti-inflammatory agent, a plant metabolite, a melanin synthesis inhibitor, an antibacterial agent, an antioxidant and an anti-allergic agent. It is a dimethoxyflavone and a dihydroxyflavone. It is functionally related to a 4,5,7-trihydroxy-3-methoxyflavone. Velutin is a natural product found in Avicennia officinalis, Lantana montevidensis, and other organisms with data available. See also: Acai (part of). A dimethoxyflavone that is luteolin in which the hydroxy groups at positions 7 and 3 are replaced by methoxy groups. [Raw Data] CB095_Velutin_neg_50eV_000026.txt [Raw Data] CB095_Velutin_neg_40eV_000026.txt [Raw Data] CB095_Velutin_neg_30eV_000026.txt [Raw Data] CB095_Velutin_neg_20eV_000026.txt [Raw Data] CB095_Velutin_neg_10eV_000026.txt [Raw Data] CB095_Velutin_pos_50eV_CB000040.txt [Raw Data] CB095_Velutin_pos_40eV_CB000040.txt [Raw Data] CB095_Velutin_pos_30eV_CB000040.txt [Raw Data] CB095_Velutin_pos_20eV_CB000040.txt [Raw Data] CB095_Velutin_pos_10eV_CB000040.txt Velutin is an aglycone extracted from Flammulina velutipes, with inhibitory activity against melanin biosynthesis. Velutin reduces osteoclast differentiation and down-regulates HIF-1α through the NF-κB pathway[1][2]. Velutin is an aglycone extracted from Flammulina velutipes, with inhibitory activity against melanin biosynthesis. Velutin reduces osteoclast differentiation and down-regulates HIF-1α through the NF-κB pathway[1][2]. Velutin is an aglycone extracted from Flammulina velutipes, with inhibitory activity against melanin biosynthesis. Velutin reduces osteoclast differentiation and down-regulates HIF-1α through the NF-κB pathway[1][2].
Jaranol
Kumatakenin is a member of flavonoids and an ether. Kumatakenin is a natural product found in Scoparia dulcis, Psiadia viscosa, and other organisms with data available. See also: Glycyrrhiza Glabra (part of); Glycyrrhiza uralensis Root (part of).
1,3-Dihydroxy-5,6-dimethoxy-2-methyl-9,10-anthraquinone
1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
5-Bromo-3-(3-hydroxy-3-methylpent-4-enylidene)-2,4,4-trimethylcyclohexanone
(3aR,4aS,7S,8aS)-7-Bromo-1,3,3a,4a,5,6,7,8,8a,9-decahydro-4a,8,8-trimethylfuro[3,4-b][1]benzoxepin
Chrysoeriol 5-methyl ether
Pilloin
Luteolin 4,7-dimethyl ether is a 3-hydroxyflavonoid, a dimethoxyflavone and a dihydroxyflavone. Pilloin is a natural product found in Chromolaena odorata, Alnus japonica, and other organisms with data available.
Ermanin
3,4-dimethylkaempferol is a dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4 have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum. It has a role as an anti-inflammatory agent, an antimycobacterial drug, an apoptosis inducer, an antineoplastic agent and a plant metabolite. It is a dihydroxyflavone and a dimethoxyflavone. It is functionally related to a kaempferol. Ermanin is a natural product found in Grindelia glutinosa, Grindelia hirsutula, and other organisms with data available. A dimethoxyflavone that is kaempferol in which the hydroxy groups at position 3 and 4 have been replaced by methoxy groups. It is a component of bee glue and isolated from several plant species including Tanacetum microphyllum.
Kaempferol 7,4-dimethyl ether
Kaempferol-7,4'-dimethyl ether is a PTP1B inhibitor, and also can inhibit the production of NO. Kaempferol-7,4'-dimethyl ether shows the inhibition rate of 46.1\\% at 100 μM. Kaempferol-7,4'-dimethyl ether inhibits PTP1B activity with IC50 value of 16.92 μM[1][2]. Kaempferol-7,4'-dimethyl ether is a PTP1B inhibitor, and also can inhibit the production of NO. Kaempferol-7,4'-dimethyl ether shows the inhibition rate of 46.1\% at 100 μM. Kaempferol-7,4'-dimethyl ether inhibits PTP1B activity with IC50 value of 16.92 μM[1][2].
5,8-dihydroxy-7,4-dimethoxyflavone
7,3-Dihydroxy-5,4-dimethoxyflavone
3,7-Dihydroxy-5,4-dimethoxyflavone
5,3,4-Trihydroxy-7-methoxy-6-methylflavone
2-[2-(3,4-Dihydroxyphenyl)ethyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
4,2-Dihydroxy-6-methoxy-3,4-methylenedioxychalcone
7-O-Methyltectorigenin
A methoxyisoflavone that is tectorigenin in which the hydroxy group at position 7 has been replaced by a methoxy group. It has been isolated from Crotalaria lachnophora.
Melannein
A natural product found in Pterocarpus santalinus.
Pectolinarigenin
Pectolinarigenin is a dimethoxyflavone that is the 6,4-dimethyl ether derivative of scutellarein. It has a role as a plant metabolite. It is a dimethoxyflavone and a dihydroxyflavone. It is functionally related to a scutellarein. Pectolinarigenin is a natural product found in Eupatorium cannabinum, Chromolaena odorata, and other organisms with data available. A dimethoxyflavone that is the 6,4-dimethyl ether derivative of scutellarein. Pectolinarigenin, also known as 5,7-dihydroxy-4,6-dimethoxyflavone or 4-methylcapillarisin, is a member of the class of compounds known as 6-o-methylated flavonoids. 6-o-methylated flavonoids are flavonoids with methoxy groups attached to the C6 atom of the flavonoid backbone. Thus, pectolinarigenin is considered to be a flavonoid lipid molecule. Pectolinarigenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pectolinarigenin can be found in sunflower and tarragon, which makes pectolinarigenin a potential biomarker for the consumption of these food products. Pectolinarigenin is a Cirsium isolate with anti-inflammatory activity and belongs to the flavones . Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2]. Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2]. Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2].
(+)-4-Hydroxy-3-methoxy-8,9-(methylenedioxy)pterocarpan
4-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-methoxy-3-benzofurancarboxaldehyde
Ladanein
Ladanein is a dimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4 and 7 are replaced by methoxy groups. It is an effective anti-HCV agent. It has a role as a plant metabolite, an antiviral agent and a radical scavenger. It is a dimethoxyflavone and a dihydroxyflavone. It is functionally related to a scutellarein. Ladanein is a natural product found in Marrubium friwaldskyanum, Teucrium polium, and other organisms with data available. A dimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4 and 7 are replaced by methoxy groups. It is an effective anti-HCV agent.
N-(2-Cyanoethyl)-N-(4-fluorophenyl)-N-(4-pyridylmethyl)thiourea
3,7-DIHYDROXY-3,4-DIMETHOXYFLAVONE
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.132 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.134 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.126
Nicosulfuron-TP AUSN
C10H14N6O4S (314.07972040000004)
CONFIDENCE standard compound; UCHEM_ID 4211
5,7-Dimethoxyluteolin
5,7-Dimethoxyluteolin, a 5,7-dimethylluteolin derivative, is a dopamine transporter (DAT) activator with an EC50 of 3.417 μM[1].
2-(Methylamino)-9-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid methyl ester
5,3-di-O-methylluteolin
A dimethoxyflavone that is the 5,3-di-O-methyl derivative of luteolin. It has been isolated from Mimosa diplotricha.
3alpha-chloro-1beta,2beta-epoxy-4beta,10alpha-dihydroxy-5alpha,7alphaH-guai-11(13)-en-12,6alpha-olide|3alpha-chloro-4beta,10alpha-dihydroxy-1beta,2beta-epoxy-5alpha,7alphaH-guai-11(13)en-12,6alpha-olide
3.4-Dimethoxy-4.6-dihydroxy-auron|4,6-Dihydroxy-2-((Z)-veratryliden)-benzofuran-3-on|4,6-dihydroxy-2-((Z)-veratrylidene)-benzofuran-3-one
5,6-Dihydroxy-4,7-dimethoxy-2-methylanthracene-9,10-dione
O7-Methyl-tectorigenin; 5,4-Dihydroxy-6,7-dimethoxy-isoflavon
2,4-dihydroxy-5-methoxy-3,4-methylen edioxychalcone
2-(beta-D-glucopyranosyloxy)-1-(4-hydroxyphenyl)ethanone|4-hydroxyphenacyl beta-D-glucopyranoside|p-hydroxyphenacyl-beta-D-glucopyranoside
Eutypoid E
A butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 3,4-dihydroxybenzyl group at position 4. It has been isolated from Penicillium species.
7-methoxy-3-(4-methoxyphenyl)-5,6-methylenedioxy-1,3-dihydrobenzo[c]furan-1-one
2,3,5,6,11,11b-hexahydro-3-oxo-1H-indolizino<8,7-b>indole-5,11b-dicarboxylic acid|2,3,5,6,11,11b-hexahydro-3-oxo-1H-indolizino[8,7-b]indole-5,11b-dicarboxylic acid
7-hydroxy-5-methoxy-3-(3,4-dihydroxybenzylidene)chromane-4-one
1,4-Dihydroxy-2,5-dimethoxy-7-methylanthracene-9,10-dione
2-methoxy-5-formylphenyl beta-D-glucopyranoside|3-(beta-D-glucopyranosyloxy)-4-methoxybenzaldehyde|3-beta-D-Glucopyranosyloxy-4-methoxy-benzaldehyd|3-beta-D-glucopyranosyloxy-4-methoxy-benzaldehyde
3-Hydroxy-5.6-dimethoxy-2-trans-cinnamoyl-benzochinon-(1.4)|3-hydroxy-5.6-dimethoxy-2-trans-cinnamoyl-benzoquinone-(1.4)|methylpedicinin
2,4-Dihydroxy-7-methoxy-4,5-methylenedioxyisoflavene|Brahene
2,8-Dihydroxy-1,3-dimethoxy-6-methyl-9,10-anthraquinone
pisonianone
A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a methyl group at position 8 and hydroxy groups at positions 5, 7 and 2. It has been isolated from Pisonia aculeata.
(E)-3-(3,4-dihydroxybenzylidene)-5-(3,4-dihydroxyphenyl)dihydrofuran-2-one
A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a 3,4-dihydroxybenzylidene group at position 3 and a 3,4-dihydroxyphenyl group at position 5. It has been isolated from the roots of Scorzonera judaica.
3-hydroxy-5-methoxy-6,7-methylenedioxy-4-O-2-cycloflavan
2-hydroxy-5-methylbenzoyl-beta-L-glucopyranoside|p-cresotyl glucoside
1,3-dihydroxy-6-methoxy-2-methoxymethyl-9,10-anthraquinone
1,3,6-trihydroxy-2-ethoxymethyl-9,10-anthraquinone
4H-1-Benzopyran-4-one, 5,8-dihydroxy-7-methoxy-2-(2-methoxyphenyl)-
5,7-dihydroxy-3-(4-hydroxy-benzylidene)-8-methoxy-chroman-4-one|Punctatin
(3S,4S)-3-methoxy-4-hydroxy-7,8,-methylenedioxypterocarpan
2-(2?-hydroxy-4?,6?-dimethoxyphenyl)benzofuran-5?carboxylic acid|sobraline
3,6,9-trihydroxy-1-methyl-8-oxo-7,8-dihydro-anthracene-2-carboxylic acid methyl ester|aloespanol I
7-oxo-N(8)-(D-ribityl)-7,8-dihydrolumazin|8-D-ribitol-1-yl-1H,8H-pteridine-2,4,7-trione
2,4-dihydroxy-6-methoxy-3,4-methylenedioxychalcone
1,5-dihydroxy-2,3-dimethoxy-6-methylanthracene-9,10-dione
1,3-Di-Me ether-1,3,8-Trihydroxy-6-hydroxymethylanthraquinone|citreorosein 6,8-di-O-methyl ether|Monomethylquestinol; 4-Hydroxy-2-hydroxymethyl-5.7-dimethoxy-anthrachinon
(-)-(2S,3S,6S,9R)-2-bromo-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-7-ene-3,9-diol|8-bromo-3,7,7-trimethyl-11-methylenespiro[5.5]undec-1-en-3,9-diol|isorigidol
1,2-Di-Me ether-1,2,5-Trihydroxy-6-hydroxxymethylanthraquinone|5,6-dimethoxy-1-hydroxy-2-hydroxymethylanthraquinone
1,3-Dihydroxy-2,5-dimethoxy-6-methyl-anthrachinon|1,3-dihydroxy-2,5-dimethoxy-6-methyl-anthraquinone|2,5-Di-O-methylcopareolatin
5alpha,6beta,7alpha,10alpha,12alpha-hexahydroxycyclodeca-1,4-benzoquinone|alopecuquinone
1,3,8-trihydroxy-6-(3-hydroxypropyl)-9,10-anthraquinone
(R)-3,5,7-trihydroxy-4-methoxyspiro[2H-1-benzopyran-3(4H),7-bicyclo[4.2.0]-octa[1,3,5]trien]-4-one|(R)-3,5,7-trihydroxy-4-methoxyspiro{2H-1-benzopyran-3(4H)-9-bicyclo[4.2.0]octa-[1,3,5]-triene}-4-one|5,7,3-trihydroxy-4-methoxyspiro{2H-1-benzopyran-7-bicyclo[4.2.0]octa[1,3,5]-trien}-4-one
3,7-dihydroxy-1,2-dimethoxy-9,10-dihydroxy-5H-phenanthro<4,5-bcd>pyran-5-one
1,4-dihydroxy-6,8-dimethoxy-2-methylanthraquinone|Ventinone B|Ventinone-B
4-(4-Hydroxyphenyl)-5,7-dimethoxy-8-hydroxy-2H-1-benzopyran-2-one
(E,3R)-4-methoxy-6-hydroxy-3-(4-oxo-6-(1-propenyl)-4H-pyran-3-yl)isobenzofuran-1(3H)-one|6-demethylvermistatin
3,4-(4-Methoxy-6-hydroxy-1,2-phenyleneoxy)-5-hydroxy-7-methoxy-2H-1-benzopyran
Tribufos
D010575 - Pesticides > D010574 - Pesticide Synergists D010575 - Pesticides > D006540 - Herbicides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
salvianolicacidF
salvianolic acid F is a natural product found in Salvia miltiorrhiza, Vicia faba, and Melissa officinalis with data available.
2-Hydroxy-1,3,4-trimethoxyanthraquinone
2-Hydroxy-1,3,4-trimethoxy-anthraquinone is a natural product found in Cinchona calisaya and Cinchona pubescens with data available.
7-Methoxy obtusifolin
2,8-Dihydroxy-1,7-dimethoxy-3-methylanthracene-9,10-dione is a natural product found in Senna tora with data available.
C17H14O6
7,4-dimethylkaempferol is a dimethoxyflavone that is kaempferol in which the hydroxy groups at position 4 and 7 have been replaced by methoxy groups. It is a component of bee glue and has been isolated from several plant species including Betula exilis, Zingiber mekongense and Alpinia flabellata. It has a role as an antioxidant and a plant metabolite. It is a dimethoxyflavone, a dihydroxyflavone and a member of flavonols. It is functionally related to a kaempferol. It is a conjugate acid of a 7,4-O-dimethylkaempferol 3-olate. 3,5-Dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available. A dimethoxyflavone that is kaempferol in which the hydroxy groups at position 4 and 7 have been replaced by methoxy groups. It is a component of bee glue and has been isolated from several plant species including Betula exilis, Zingiber mekongense and Alpinia flabellata. Kaempferol-7,4'-dimethyl ether is a PTP1B inhibitor, and also can inhibit the production of NO. Kaempferol-7,4'-dimethyl ether shows the inhibition rate of 46.1\\% at 100 μM. Kaempferol-7,4'-dimethyl ether inhibits PTP1B activity with IC50 value of 16.92 μM[1][2]. Kaempferol-7,4'-dimethyl ether is a PTP1B inhibitor, and also can inhibit the production of NO. Kaempferol-7,4'-dimethyl ether shows the inhibition rate of 46.1\% at 100 μM. Kaempferol-7,4'-dimethyl ether inhibits PTP1B activity with IC50 value of 16.92 μM[1][2].
pisatin
A member of the class of pterocarpans that is the 3-O-methyl ether of (+)-6a-hydroxymaackiain (the 6aR,12aR stereoisomer). A phytoalexin found in pods of garden peas (Pisum sativum) and other plants of the pea family, including Tephrosia candida. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents 6H-(1,3)Dioxolo(5,6)benzofuro(3,2-c)(1)benzopyran-6a(12aH)-ol, 3-methoxy-, (6aS-cis)- is a natural product found in Millettia pachyloba with data available.
Dihydroaflatoxin B1
Aflatoxin B2 is an aflatoxin having a hexahydrocyclopenta[c]furo[3,2:4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. Aflatoxin B2 is a natural product found in Aspergillus nomiae, Aspergillus flavus, and other organisms with data available. An aflatoxin having a hexahydrocyclopenta[c]furo[3,2:4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
3-O-Acetylpinobanksin
Pinobanksin 3-acetate is a one of Pinobanksin ester derivatives that can be isolated from Sonoran propolis[1].
5,7-dihydroxy-3,8-dimethoxy-2-phenyl-4H-chromen-4-one
1,3,8-trihydroxy-6-(2-hydroxypropyl)anthracene-9,10-dione
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
5,7-dihydroxy-3,6-dimethoxy-2-phenylchromen-4-one
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-methoxychromen-4-one
Aflatoxin B2
CONFIDENCE standard compound; INTERNAL_ID 5963 D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins CONFIDENCE Reference Standard (Level 1)
Vanilloside
Origin: Plant, Glycosides, Benzaldehydes Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one [IIN-based: Match]
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one [IIN-based on: CCMSLIB00000847437]
sulfaphenazole
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01E - Sulfonamides and trimethoprim > J01ED - Long-acting sulfonamides S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives > S01AB - Sulfonamides C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
4,7-Dihydroxy-2,5-dimethoxyisoflavone
3,4-Dihydroxycinnamoyl-(Z)-2-(3,4-dihydroxyphenyl)ethenol
Muscomosin
2,5-Dihydroxy-4,7-dimethoxyisoflavone
2-Hydroxyphenylacetic acid O-b-D-glucoside
(S)-Mandelic acid O-beta-D-Glucopyranoside
2',7-Dihydroxy-4',5'-dimethoxyisoflavone
N-[6-[(4-AMINOPHENYL)THIO]-1H-BENZIMIDAZOL-2-YL]-CARBAMIC ACID METHYL ESTER
sodium diisopropylnaphthalenesulphonate
C16H19NaO3S (314.09525440000004)
Cyclopropyl(diphenyl)sulfonium tetrafluoroborate
C15H15BF4S (314.09235880000006)
(R)-5-(chloromethyl)-3-(3-fluoro-4-morpholinophenyl)oxazolidin-2-one
C14H16ClFN2O3 (314.08334279999997)
5-METHYL-2-(4-TRIFLUOROMETHOXYPHENYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C14H13F3N2O3 (314.08782240000005)
2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylchinolin-4-ol
C17H18N2O2S (314.10889280000004)
(2S,4S)-1-CBZ-4-amino Pyrrolidine-2-carboxylic acid Methylester-HCl
2-PHENYLTHIO-5-PROPIONYLPHENYLACETICACIDMETHYLESTER
C18H18O3S (314.09765980000003)
Amprolium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
3-(Boc-amino)-3-(4-chlorophenyl)-N-hydroxypropanamide
3-(2-NAPHTHALEN-2-YL-2-OXO-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
5-naphthalen-2-yl-1-phenylpyrazole-3-carboxylic acid
Methyl 2-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C14H17BClFO4 (314.08923940000005)
1-N-CBZ-piperazine-2-carboxylic acid Methyl ester-HCl
(3aR)-7α-Bromo-1,3,3aβ,4aα,5,6,7,8,8aβ,9-decahydro-4a,8,8-trimethylfuro[3,4-b][1]benzoxepin
(1S,2S,3R,5S)-(+)-2,3-pinanediol 4-bromobutylboronate ester
C14H24BBrO2 (314.10526139999996)
4-Pyridinecarboximidamide hydrochloride
C12H16Cl2N6 (314.08134359999997)
ethyl 3-(2-ethoxy-1-(4-fluorophenyl)-2-oxoethylthio)propanoate
C15H19FO4S (314.09880260000006)
4,5-bis(2-methoxyethoxy)-2-nitrobenzamide
C13H18N2O7 (314.11139579999997)
N-(4-Fluorophenyl)-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
C17H15FN2O3 (314.10666519999995)
1-(4-nitro-benzylamino)-cyclohexanecarboxylic acid hydrochloride
(2S,4R)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate hydrochloride
ethyl 1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
C14H13F3N2O3 (314.08782240000005)
acetic acid,(6E)-4-fluoro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
C17H15FN2O3 (314.10666519999995)
N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride
3-[3-[2-(2-Tetrahydropyranyloxy)ethyl]ureido]thiophene-2-carboxy
4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(S)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
ALPHA-AMINO-1H-PYRAZOLE-1-PROPIONICACID
C14H13F3N2O3 (314.08782240000005)
(R)-PIPERAZINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER 2-METHYL ESTER
(R)-4-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER-HCl
(S)-1-Benzyl 2-methyl piperazine-1,2-dicarboxylate hydrochloride
3-Methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
2-[(3-Chlorophenyl)-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile
5-Methyl-4-[(2-oxo-1-benzopyran-7-yl)oxymethyl]-2-furancarboxylic acid methyl ester
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
C17H18N2O2S (314.10889280000004)
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
3-[(5S)-1-Acetyl-3-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-YL]phenol
Fenleuton
C17H15FN2O3 (314.10666519999995)
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
520-12-7
Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2]. Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2]. Pectolinarigenin is a dual inhibitor of COX-2/5-LOX. Anti-inflammatory activity[1]. Pectolinarigenin has potent inhibitory activities on melanogenesis[2].
3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-5-one
7-Hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
3-Methoxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-YL]oxy}benzaldehyde
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]propanoate
C13H18N2O7-2 (314.11139579999997)
4-[[(2-Amino-4-oxo-3,5,7,8-tetrahydropteridin-6-ylidene)amino]methyl]benzoic acid
(2S,3S)-Sulfated pterosin C
C14H18O6S (314.08240480000006)
A natural product found in Acrostichum aureum.
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
C17H18N2O2S (314.10889280000004)
1-(1,3-Benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
(2R,3R)-3-hydroxy-5-methoxy-6,7-methylenedioxyflavanone
3-{5-[3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide
C17H15FN2O3 (314.10666519999995)
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
C17H18N2O2S (314.10889280000004)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenyl)acetamide
9-Oxo-3-fluorenecarboxylic acid (phenylmethyl) ester
1-[1-(2,3-Dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea
C17H18N2O2S (314.10889280000004)
2-[[(1,3-Benzodioxol-5-ylamino)-oxomethyl]amino]benzoic acid methyl ester
[(2S)-1,3-dimethyl-3-nitro-1-spiro[cyclohepta[d]imidazol-3-ium-2,4-cyclohexa-2,5-diene]ylidene]-dioxidoammonium
N-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
2-(6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)-1,3-benzothiazole
(2R,3S)-sulfated pterosin C, (+)-
C14H18O6S (314.08240480000006)
A natural product found in Acrostichum aureum.
9,10-dihydroxy-7-methoxy-3-(2-oxopropyl)-1H-benzo[g]isochromen-1-one
(5,5-Dimethyl-2-oxotetrahydro-3-furanyl)methyl 4-methoxybenzenesulfonate
C14H18O6S (314.08240480000006)
N-(sec-butyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
C17H18N2O2S (314.10889280000004)
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methoxymethyl]-1H-benzimidazole
sodium (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onate
6-(4-Ethyl-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
4-Chloro-N-[(E)-(4-oxo-4-phenylbutan-2-ylidene)amino]benzamide
N-(2,6-dimethylphenyl)-2-(7H-purin-1-ium-6-ylsulfanyl)acetamide
2-hydroxy-N-[(Z)-[2-(2,2,2-trifluoroacetyl)cyclopentylidene]amino]benzamide
C14H13F3N2O3 (314.08782240000005)
6-(4-Ethyl-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Avenein
Glucovanillin is a glycoside. Glucovanillin is a natural product found in Dendrobium moniliforme, Stereospermum cylindricum, and other organisms with data available. See also: Elymus repens root (part of). Glucovanillin extracted from Vanilla planifolia Andrews and simultaneously transformed to vanillin by a combination of enzyme activities involving cell wall degradation and glucovanillin hydrolysis.
dihydropteroate
A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
aflatoxin B2 alpha
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D009676 - Noxae > D011042 - Poisons > D000348 - Aflatoxins
(2R,3R)-3-hydroxy-5-methoxy-6,7- methylenedioxyflavanone
An extended flavonoid that consists of (2S)-flavanone substituted by a hydroxy group at position 3, a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7. It has been isolated from Pisonia aculeata.
(3ar,4r,6r,6as,7s,9ar,9bs)-6-(chloromethyl)-4,6,7-trihydroxy-9-methyl-3-methylidene-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3ar,4ar,6s,7ar,8r,9as)-8-(chloromethyl)-4a,6,8-trihydroxy-3,5-dimethylidene-hexahydro-3ah-azuleno[6,5-b]furan-2-one
methyl 3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(3ar,4s,6ar,8s,9s,9as,9bs)-9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-octahydroazuleno[4,5-b]furan-2-one
1-(4-hydroxy-2-{[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(3s,6r,8r,9s)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-1-ene-3,9-diol
(2r,3r)-2,3,4-trihydroxybutyl (2e)-3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
10-chloro-9,11-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-4-one
(3r,6s,8s,9s)-8-bromo-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-1-ene-3,9-diol
9-(chloromethyl)-4,8,9-trihydroxy-3,6-dimethylidene-octahydroazuleno[4,5-b]furan-2-one
6,10-bis(hydroxymethyl)-3-methyl-15-oxa-3,13-diazatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1,5,7,9(16),10-pentaene-4,12-dione
8-(chloromethyl)-4a,6,8-trihydroxy-3,5-dimethylidene-hexahydro-3ah-azuleno[6,5-b]furan-2-one
(2s,3e,5r)-5-bromo-3-[(3r)-3-hydroxy-3-methylpent-4-en-1-ylidene]-2,4,4-trimethylcyclohexan-1-one
1-(5-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
2-(beta-D-Glucopyranosyloxy)benzeneacetic acid
{"Ingredient_id": "HBIN005389","Ingredient_name": "2-(beta-D-Glucopyranosyloxy)benzeneacetic acid","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C(=C1)CC(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "314.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8558","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10979933","DrugBank_id": "NA"}
2-carboxylmethylphenol1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN005446","Ingredient_name": "2-carboxylmethylphenol1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3176","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2-o-β-d-glucopyranosyl-2-hydroxyphenyl-aceticacid
{"Ingredient_id": "HBIN006605","Ingredient_name": "(2s)-2-o-\u03b2-d-glucopyranosyl-2-hydroxyphenyl-aceticacid","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C=C1)C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8674","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-5,7,2',5'-tetrahydroxy-flavanone7-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN006758","Ingredient_name": "(2s)-5,7,2',5'-tetrahydroxy-flavanone7-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1=CC=C(C=C1)C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21094","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-chloro-1,2-epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide
{"Ingredient_id": "HBIN008387","Ingredient_name": "3-chloro-1,2-epoxy-4,10-dihydroxy-11(13)-guaien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H19ClO5","Ingredient_Smile": "NA","Ingredient_weight": "314.76","OB_score": "NA","CAS_id": "116127-39-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8158","PubChem_id": "NA","DrugBank_id": "NA"}
alopecuquinone
{"Ingredient_id": "HBIN015318","Ingredient_name": "alopecuquinone","Alias": "NA","Ingredient_formula": "C14H18O8","Ingredient_Smile": "C1CC(C(C(C2=C(C(C(C1O)O)O)C(=O)C=CC2=O)O)O)O","Ingredient_weight": "314.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "982","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "636698","DrugBank_id": "NA"}
(1'r,2r,2's,3's,5'r,8's,9's,12'r)-2',8',12'-trihydroxy-12'-(2-hydroxypropan-2-yl)-4',10'-dioxaspiro[oxirane-2,6'-tetracyclo[7.2.1.0²,⁷.0³,⁵]dodecan]-11'-one
2-[(1s,2r)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethoxysulfonic acid
C14H18O6S (314.08240480000006)
(6s,7ar)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,7a-dihydro-6h-1-benzofuran-2-one
methyl 2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 2-hydroxy-5-methylbenzoate
2,3,4-trihydroxybutyl 3-(4-methoxy-6-oxopyran-2-yl)but-2-enoate
(1s,2s,6s,9r,10r,11r,12s,14r)-10-chloro-9,11-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-4-one
1-(5-hydroxy-2-{[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(2s,3e,5s)-5-bromo-3-[(3s)-3-hydroxy-3-methylpent-4-en-1-ylidene]-2,4,4-trimethylcyclohexan-1-one
(5r,6s,7s,10r,11r,12s)-5,6,7,10,11,12-hexahydroxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-1,4-dione
{5-[4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methyl 3-methylbutanoate
C18H18O3S (314.09765980000003)
(6r,7as)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,7a-dihydro-6h-1-benzofuran-2-one
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-7,7a-dihydro-6h-1-benzofuran-2-one
4-methoxy-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde
1-(4-hydroxy-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
1-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
2,4-dihydroxy-8-[(2s,3s,4r)-2,3,4,5-tetrahydroxypentyl]pteridin-7-one
12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(4s)-3,8-dihydroxy-3-(methanesulfinylmethyl)-6-methoxy-4,5-dimethyl-4h-2-benzopyran-1-one
C14H18O6S (314.08240480000006)
11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(1r,2r,5s,9s,10r,11r,12r,13s)-11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(5r,6r)-6-[(1r)-1-hydroxyethyl]-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
1-(4-hydroxyphenyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethanone
2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
19-(hydroxymethyl)-3,13-diazapentacyclo[11.8.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2,4,6,8,10,15,17,19-nonaen-14-one
2-hydroxy-n-{2-hydroxy-5-[5-(hydroxymethyl)-1,3-benzoxazol-2-yl]phenyl}ethanimidic acid
6-(1-hydroxyethyl)-3-({2-[(1-hydroxyethylidene)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(2r,4ar,6r,7s,8s,8ar)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
(3e)-5-bromo-3-(3-hydroxy-3-methylpent-4-en-1-ylidene)-2,4,4-trimethylcyclohexan-1-one
(2s,4s)-2-amino-4-hydroxy-4-[(2-hydroxy-4,5-dimethoxyphenyl)-c-hydroxycarbonimidoyl]butanoic acid
C13H18N2O7 (314.11139579999997)
1-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
2-amino-4-hydroxy-4-[(2-hydroxy-4,5-dimethoxyphenyl)-c-hydroxycarbonimidoyl]butanoic acid
C13H18N2O7 (314.11139579999997)
(1s,2r,5s,9s,10s,11r,12r,13s)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl acetate
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl acetate
(1r,2r,5s,9s,10s,11s,12s,13r)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
1-(4-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethanone
(2s,4ar,6r,7s,8s,8ar)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-hexahydro-2h-pyrano[2,3-b][1,4]dioxine-7,8-diol
1-(3-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethanone
(1r,2s,6s,9r,10r,11r,12s,14r)-10-chloro-9,11-dihydroxy-9,14-dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-4-one
(4-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
(1s,3r,10s,12s)-12-bromo-1,11,11-trimethyl-2,5-dioxatricyclo[8.4.0.0³,⁷]tetradec-7-ene
(1r,2s,5s,9s,10s,11r,12s,13r)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-7-one
(2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)acetic acid
5,6,7,10,11,12-hexahydroxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene-1,4-dione
3,8-dihydroxy-3-(methanesulfinylmethyl)-6-methoxy-4,5-dimethyl-4h-2-benzopyran-1-one
C14H18O6S (314.08240480000006)
methyl 9-(hydroxymethyl)-2-(methylamino)-3-oxophenoxazine-1-carboxylate
{5-[(3e)-4-(furan-2-yl)but-3-en-1-yn-1-yl]thiophen-2-yl}methyl 3-methylbutanoate
C18H18O3S (314.09765980000003)