Exact Mass: 426.08610780000004
Exact Mass Matches: 426.08610780000004
Found 343 metabolites which its exact mass value is equals to given mass value 426.08610780000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cysteineglutathione disulfide
Cysteineglutathione disulfide is a molecule that is formed upon oxidative stress of glutathione, that will form mixed disulfides with protein thiol groups, causing reversible S-glutathionylation. S-glutathionylation is an important post-translational modification responsible for transducing oxidant signals. S-glutathionylation of thiols confers protection against their irreversible oxidation, like for instance the formation of sulphonic acid moieties. If the targeted cysteine is a functionally critical amino acid, S-glutathionylation will however also modify protein function. (PMID 16515838). S-sulfonation and S-thiolation of transthyretin Phe33Cys has been detected in a patient with familial transthyretin amyloidosis. (PMID 12876326). In Cystinotic human skin fibroblasts in tissue culture there is an accumulation of cystine. Stored cystine in cystinotic tissues may derive in part from glutathione-cysteine mixed disulfide via transpeptidation. (PMID 6130452). Cystinosis is an autosomal recessive disorder caused by an impaired transport of cystine out of lysosomes. (PMID 15042893). Cysteineglutathione disulfide is a molecule that is formed upon oxidative stress of glutathione, that will form mixed disulfides with protein thiol groups, causing reversible S-glutathionylation. [HMDB]
Nicarbazin
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
(-)-Epiafzelechin 3-gallate
(-)-Epiafzelechin 3-gallate is found in tea. (-)-Epiafzelechin 3-gallate is isolated from Camellia sinensis var. assamica (oolong tea). Isolated from Camellia sinensis variety assamica (oolong tea). (-)-Epiafzelechin 3-gallate is found in tea.
Butanoic acid, 3-((2-naphthalenylsulfonyl)amino)-4-oxo-4-((2-phenylethyl)amino)-, (S)-
C22H22N2O5S (426.12493620000004)
(3-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)-1,2,4-oxadiazol-5-yl)methanol
Cysteine-glutathione disulfide
Diflunisal glucuronide ester
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Diflunisal glucuronide ether
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Fevipiprant
C19H17F3N2O4S (426.08610780000004)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C177182 - Prostaglandin Receptor Antagonist
Lenvatinib
C21H19ClN4O4 (426.10947640000006)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Hydroxy-2-naphthalenylmethylphosphonic acid tris-acetoxymethyl ester
Villosinol
Villosin
11-Hydroxytephrosin
8-Deoxy-15-(3-hydroxy-2-methyl-propanoyl)-lactucin-3-sulfate
5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one
5-Hydroxy-3,8-dimethoxy-3,4-methylenedioxy-7-prenyloxyflavone
BML-190
C23H23ClN2O4 (426.13462680000004)
N-Fructosyl gamma-glutamyl-S-methylcysteine
Annotation level-3
(-)-sanguinolignan D|(8R,7S,8S)-7-acetoxy-3,3,4,4-bis(methylenedioxy)-7-oxolignano-9,9-lactone
2-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)-5,7-dihydroxy-2,3-epoxy-3,4-dihydro-2H-1-benzopyran-4-one
C21H14O10 (426.05869440000004)
5,7-Diacetoxy-3-(4-acetoxy-phenyl)-6-methoxy-chromen-4-on|5,7-diacetoxy-3-(4-acetoxy-phenyl)-6-methoxy-chromen-4-one
2-acetyl-1,3-dicoumaroylglycerol|2-acetyl-1,3-di[(E)-p-coumaroyl]glycerol|Lasiocarpin A
(1R,2S,3R,4S)-1-Ac,1,3-debenzoyl-5-(Hydroxymethyl)-5-cyclohexene-1,2,3,4-tetrol|acetyl piperenol A
uvarirufol B|{(1R,4S,5R,6S)-6-acetoxy-1,4-dihydroxy-5-[(benzoyl)oxy]cyclohex-2-en-1-yl}methyl benzoate
9alpha,11-dihydroxy-13-chloro-11,13-dihydroatripliciolide-8-O-angelate
11-(3-carboxy-3-hydroxy-propionyl)-5-hydroxy-1-oxo-1,12-dihydro-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid|alpha-hydroxy-alpha-deamino-dihydro-xanthommatin|Rhodommatin
8-Me ehter,tri-Ac-1,3,5,8-Tetrahydroxy-2-methylanthraquinone
3,4,5-trimetoxyphenil 1-O-beta-(6-sulpho)-glucopyranoside
C15H22O12S (426.08319320000004)
(-)-6-acetylzeylenol|(-)-6-O-acetyl-1-benzoyloxymethylcyclohex-4-en-1,2,3,6-tetrol
(5E,8Z,14Z)-6-iodoicosa-5,8,14,19-tetraen-11-ynoic acid
2-(1,3-Benzodioxole-5-yl)-3,5-dimethoxy-7-(2-hydroxy-3-methyl-3-butenyloxy)-4H-1-benzopyran-4-one
5-O-beta-D-glucopyranosyl-1,3,8-trihydroxy-5,6,7,8-tetrahydroxanthone
C19H22O11 (426.11620619999997)
(-)-deguoic acid|5-(6,7-dimethoxy-2,3-dihydrochromon-3-oxy) beta-tubaic acid
(-)-rotoic acid|4-(2,3-dihydro-6,7-dimethoxychromon-3-oxy) tubaic acid
3-Carboxy-6,7-dihydroxy-1-(3,4-dihydroxyphenyl)-naphthalene-9,2-O-malic acid ester
19-Ac-(ent-4beta,7alpha,12betaH)-18-Chloro-15,16-epoxy-4,7,19-trihyrdroxy-3,6-dioxo-13(16),14-clerodadien-20,12-olide
Ala Cys Cys Met
Ala Cys Met Cys
Ala Met Cys Cys
Cys Ala Cys Met
Cys Ala Met Cys
Cys Cys Ala Met
Cys Cys Cys Val
Cys Cys Asp Ser
Cys Cys Met Ala
Cys Cys Ser Asp
Cys Cys Thr Thr
C14H26N4O7S2 (426.12428459999995)
Cys Cys Val Cys
Cys Asp Cys Ser
Cys Asp Ser Cys
Cys Met Ala Cys
Cys Met Cys Ala
Cys Met Ser Ser
C14H26N4O7S2 (426.12428459999995)
Cys Ser Cys Asp
Cys Ser Asp Cys
Cys Ser Met Ser
C14H26N4O7S2 (426.12428459999995)
Cys Ser Ser Met
C14H26N4O7S2 (426.12428459999995)
Cys Thr Cys Thr
C14H26N4O7S2 (426.12428459999995)
Cys Thr Thr Cys
C14H26N4O7S2 (426.12428459999995)
Cys Val Cys Cys
Asp Cys Cys Ser
Asp Cys Ser Cys
Asp Ser Cys Cys
Met Ala Cys Cys
Met Cys Ala Cys
Met Cys Cys Ala
Met Cys Ser Ser
C14H26N4O7S2 (426.12428459999995)
Met Ser Cys Ser
C14H26N4O7S2 (426.12428459999995)
Met Ser Ser Cys
C14H26N4O7S2 (426.12428459999995)
Ser Cys Cys Asp
Ser Cys Asp Cys
Ser Cys Met Ser
C14H26N4O7S2 (426.12428459999995)
Ser Cys Ser Met
C14H26N4O7S2 (426.12428459999995)
Ser Asp Cys Cys
Ser Met Cys Ser
C14H26N4O7S2 (426.12428459999995)
Ser Met Ser Cys
C14H26N4O7S2 (426.12428459999995)
Ser Ser Cys Met
C14H26N4O7S2 (426.12428459999995)
Ser Ser Met Cys
C14H26N4O7S2 (426.12428459999995)
Thr Cys Cys Thr
C14H26N4O7S2 (426.12428459999995)
Thr Cys Thr Cys
C14H26N4O7S2 (426.12428459999995)
Thr Thr Cys Cys
C14H26N4O7S2 (426.12428459999995)
Val Cys Cys Cys
Asn-Trp-OH
C20H18N4O7 (426.11754379999996)
2,2-(5-Bromo-2-fluoro-1,3-phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
Hexyl(triphenyl)phosphonium bromide
C24H28BrP (426.11118780000004)
(3-ETHOXYCARBONYL-2-OXOPROPLY)TRIPHENYLPHOSPHONIUM CHLORIDE
Methyl 8-phenoxy-4-{[(trifluoromethyl)sulfonyl]oxy}-2-naphthoate
C19H13F3O6S (426.03849140000005)
Fenbenicillin
C22H22N2O5S (426.12493620000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Thioacetic acid S-[4-[4-(4-acetylsulfanylphenylethynyl)-phenylethynyl]-phenyl] ester
C26H18O2S2 (426.07481679999995)
methyl N-[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
1,2,3,4,5,6-Benzenehexacarboxylicacid, 1,2,3,4,5,6-hexamethyl ester
(r)-5-bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-1h-indole
bis(trifluoromethylsulfonyl)azanide,diethyl-(2-methoxyethyl)-methylazanium
C10H20F6N2O5S2 (426.07177820000004)
benzyl 2-(5-bromo-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
2,4-DIFLUORO-N-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YL)BENZENESULFONAMIDE
C18H21BF2N2O5S (426.12322300000005)
U0126-EtOH
U0126 (U0126-EtOH) is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
p-Nitrophenyl 2-Acetamido-2-deoxy-3,6-di-O-acetyl-β-D-glucopyranoside
5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione
.beta.-D-Glucopyranosiduronic acid, phenyl 1-thio-, methyl ester, triacetate
ICI 199,441 hydrochloride
ICI 199441 is a potent and selective κ-opioid receptor agonist. ICI 199441 can improve heart resistance to ischemia/reperfusion[1].
Diethyl 2,4-diacetyl-3-(4-bromophenyl)pentanedioate
Etofamide
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01A - Agents against amoebiasis and other protozoal diseases > P01AC - Dichloroacetamide derivatives D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Afuresertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Afuresertib (GSK2110183) is an orally bioavailable, selective, ATP-competitive and potent pan-Akt kinase inhibitor with Kis of 0.08/2/2.6 nM for Akt1/Akt2/Akt3, respectively[1][2].
3-Deoxy 3-amino adenosine-5-diphosphate
C10H16N6O9P2 (426.04539859999994)
3-O-methylfluorescein 6-phosphate
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
2-amino-4-(3-chlorophenyl)-6-(2-furanylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carboxylic acid methyl ester
C22H19ClN2O5 (426.09824340000006)
2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
C19H18N6O4S (426.11101880000007)
1-[3-({[(4-Amino-5-fluoro-2-methylquinolin-3-YL)methyl]thio}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diol
6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one
C21H16Cl2N4O2 (426.06502559999996)
N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
C22H22N2O5S (426.12493620000004)
(4AR,6R,7S,8R,8AR)-8-((5R,6R)-3-Carboxy-tetrahydro-4,5,6-trihydroxy-2H-pyran-2-yloxy)-hexahydro-6,7-dihydroxy-2-methylpyrano[3,2-D][1,3]dioxine-2-carboxylic acid)
Lenvatinib
C21H19ClN4O4 (426.10947640000006)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors D000970 - Antineoplastic Agents
Fevipiprant
C19H17F3N2O4S (426.08610780000004)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent C177182 - Prostaglandin Receptor Antagonist
4,18-Dihydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-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
Mefoxin
C16H16N3O7S2- (426.04296459999995)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002511 - Cephalosporins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002513 - Cephamycins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
methyl (2R)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
(2S)-2-[(2R,3R,4R,5S,6R)-3-[[(2R)-2-amino-3-formylsulfanylpropanoyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
C14H22N2O11S (426.09442620000004)
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(7-hydroxy-2-oxochromen-6-yl)oxyoxan-2-yl]methoxy]propanoic acid
(-)-sanguinolignan D
A lignan isolated from the leaves of Piper sanguineispicum.
8-chloro-4-(3-chloro-4-fluoroanilino)-6-(1H-imidazol-5-ylmethylamino)-3-quinolinecarbonitrile
3-(2-fluorophenyl)-6-[4-methoxy-3-(3-oxolanyloxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
3-(2-chlorophenyl)-6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
C21H19ClN4O2S (426.09171840000005)
5-Chloropyridin-3-yl 1-[(4-methylphenyl)sulfonyl]-1h-indole-5-carboxylate
C21H15ClN2O4S (426.04410200000007)
7-(4-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one
7-(3-Chloro-benzyloxy)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-chromen-4-one
2-[[2-[(3,7-Dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid
C22H22N2O5S (426.12493620000004)
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
C22H22N2O5S (426.12493620000004)
S-butyryl-4-phosphopantetheine(2-)
C15H27N2O8PS-2 (426.12256720000005)
2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
C22H19ClN2O3S (426.08048540000004)
N-[3-(1-azepanylsulfonyl)phenyl]-4-oxo-1-benzopyran-2-carboxamide
C22H22N2O5S (426.12493620000004)
1-(2-Fluorophenyl)-5-[[4-(4-morpholinyl)anilino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
2-[(5-amino-1-phenacyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide
2-Chloro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
C21H19ClN4O2S (426.09171840000005)
ethyl (2Z)-2-[(5Z)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
C22H22N2O5S (426.12493620000004)
(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-6-(3-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptane
C23H20F2N2O2S (426.12134840000004)
6-[3-(1,2-Dihydroxybutyl)-1-oxoisochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
C19H22O11 (426.11620619999997)
15-(1,3-Dihydroxy-3-methylbutyl)-18-hydroxy-2-methoxy-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
1,3,5-Benzenetricarboxylic acid tri(trimethylsilyl) ester
13,21-Dihydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
2-(4-(4-Nitrophenyl)-6-phenyl-2-pyrimidinylamino)benzoic acid methyl ester
1,2,3-Benzenetricarboxylic acid tri(trimethylsilyl) ester
4,7-DI(Para-methoxyphenyl)-6-(pyridin-4-YL)-1,2,5-thiadiazolo(3,4-C)pyridine
cefoxitin(1-)
C16H16N3O7S2 (426.04296459999995)
A cephalosporin carboxylic acid anion having methoxy, 2-thienylacetamido and carbamoyloxymethyl side-groups, formed by proton loss from the carboxy group of the semisynthetic cephamycin antibiotic cefoxitin.
epiafzelechin 3-gallate
A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epiafzelechin.
L-cysteine glutathione disulfide
An organic disulfide that is the L-cysteinyl derivative of glutathione.
S-butyryl-4-phosphopantetheine(2-)
C15H27N2O8PS (426.12256720000005)
An S-acyl-4-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-butyryl-4-phosphopantetheine; major species at pH 7.3.
Keto Ziprasidone
C21H19ClN4O2S (426.09171840000005)
Keto Ziprasidone is an impurity of Ziprasidone[1]. Ziprasidone, an antipsychotic agent, is a combined 5-HT (serotonin) and dopamine receptor antagonist[2].
methyl (1r,2r)-2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
(1r,4s,5r,6s)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-4,5-dihydroxycyclohex-2-en-1-yl benzoate
6,6-dichloro-3-methoxy-n,5-dimethyl-n-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
6-(acetyloxy)-2-[(benzoyloxy)methyl]-4,5-dihydroxycyclohex-2-en-1-yl benzoate
5-(2-hydroxy-1-methanesulfonylpropan-2-yl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione
C20H26O8S (426.13483160000004)
(1r,14r)-11,14-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
6-[(6,8-dihydroxy-3,7-dimethyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl)methyl]-5-hydroxy-7-methoxy-2-methylchromen-4-one
6-{[(3r)-6,8-dihydroxy-3,7-dimethyl-1-oxo-3,4-dihydro-2-benzopyran-5-yl]methyl}-5-hydroxy-7-methoxy-2-methylchromen-4-one
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxysulfonic acid
C15H22O12S (426.08319320000004)
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,8-dimethoxy-7-[(3-methylbut-2-en-1-yl)oxy]chromen-4-one
(2r,2's,4s,6s,7s,10s,12s)-2',12,17-trihydroxy-6-methyl-3,8-dioxaspiro[hexacyclo[11.8.0.0²,⁴.0²,¹⁰.0⁶,¹⁰.0¹⁴,¹⁹]henicosane-7,3'-oxolane]-1(13),14,16,18-tetraene-5',20-dione
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2h-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
(2z,4s,7r,8s,9s,10r,11r)-7-(chloromethyl)-7,10-dihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate
11-hydroxytephrosin
{"Ingredient_id": "HBIN000455","Ingredient_name": "11-hydroxytephrosin","Alias": "NA","Ingredient_formula": "C23H22O8","Ingredient_Smile": "CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)O)C","Ingredient_weight": "426.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10740","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "124355889","DrugBank_id": "NA"}
4',5',7-triacetoxy-2'-methoxyisoflavone
{"Ingredient_id": "HBIN009982","Ingredient_name": "4',5',7-triacetoxy-2'-methoxyisoflavone","Alias": "NA","Ingredient_formula": "C22H18O9","Ingredient_Smile": "CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21512","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2s,5r,6s)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-2,5-dihydroxycyclohex-3-en-1-yl benzoate
10,13-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(2z,4r,7s,8s,9s,10s,11s)-7-(chloromethyl)-7,10-dihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2e)-2-methylbut-2-enoate
7-(chloromethyl)-7,10-dihydroxy-2,11-dimethyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate
(1r,12'r,16's)-9'-hydroxy-3,4-dimethoxy-5',5'-dimethyl-6',14',17'-trioxaspiro[cyclohexane-1,13'-tetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadecane]-1',2,3',4,7',9'-hexaene-6,11'-dione
5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12-trione
(2s)-3-{[(3as,9bs)-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-2-methyl-3-oxopropoxysulfonic acid
(5s,6s)-5,9,14-trihydroxy-6-(2-hydroxypropan-2-yl)-18,18-dimethyl-2,7,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaen-12-one
(1s,6s,13s)-13-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(1s,14r,22r)-14,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
(5ar,11ar)-8,9-bis(acetyloxy)-12-oxo-10,11a-dihydro-5ah-5,11-dioxatetraphen-3-yl acetate
2-(acetyloxy)-4-[7-(acetyloxy)-4-oxochromen-3-yl]-5-methoxyphenyl acetate
2-(acetyloxy)-4-(3,4-dihydroxyphenyl)-4',5,6-trihydroxy-[1,1'-biphenyl]-3-yl acetate
5-(carboxymethyl)-8-(2,6-dihydroxybenzoyl)-4-oxo-2-propylchromene-7-carboxylic acid
6-(acetyloxy)-5-[(benzoyloxy)methyl]-2,5-dihydroxycyclohex-3-en-1-yl benzoate
(2s)-3-{[(3as,9as,9bs)-6-methyl-3-methylidene-2,7-dioxo-3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-9-yl]methoxy}-2-methyl-3-oxopropoxysulfonic acid
(2e,5s)-6,6-dichloro-3-methoxy-n,5-dimethyl-n-[(1s)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
methyl 6-{2-[(2e)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylphenoxy}-3-chloro-4-hydroxy-2-methylbenzoate
6-[(acetyloxy)methyl]-4-(benzoyloxy)-5,6-dihydroxycyclohex-2-en-1-yl benzoate
4,18-dihydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-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
(2z,4s,7r,8r,9r,11r)-7-(chloromethyl)-7-hydroxy-2-(hydroxymethyl)-11-methyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl (2z)-2-methylbut-2-enoate
3-bromo-2-hydroxy-6-[(1s,2s,5r)-5-isopropyl-2-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]-4-methylbenzoic acid
C20H27BrO5 (426.10417520000004)
2h-1,3-benzodioxol-5-yl[4-(2h-1,3-benzodioxole-5-carbonyl)-2-oxooxolan-3-yl]methyl acetate
(11s)-4-carboxy-4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
(1s,6r,13s,21s)-10,21-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
13-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
methyl (2s)-3-{[(4s,8s)-11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl]sulfanyl}-2-hydroxypropanoate
C20H26O8S (426.13483160000004)
(1r,2s,4r,5r,10r,11s,17s)-11-hydroxy-5-[(2r)-2-hydroxy-1-methanesulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione
C20H26O8S (426.13483160000004)
(4s,8s)-4,18-dihydroxy-15-(3-hydroxy-3-methylbutyl)-2-methoxy-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
(3s)-3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one
C21H14O10 (426.05869440000004)
methyl (2r)-4-hydroxy-2-{[4-hydroxy-3-(2-oxopropyl)phenyl]methyl}-3-(4-methoxyphenyl)-5-oxofuran-2-carboxylate
2-(acetyloxy)-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl 3-(4-hydroxyphenyl)prop-2-enoate
methyl 2-ethyl-2,5,7,12-tetrahydroxy-4,6,11-trioxo-1,3-dihydrotetracene-1-carboxylate
14,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
(1r,4r,5s,6s)-6-(acetyloxy)-5-[(benzoyloxy)methyl]-4,5-dihydroxycyclohex-2-en-1-yl benzoate
(1s,2r,4s,5r,10s,13s,14r,17r)-13-hydroxy-5-[(2r)-2-hydroxy-1-methanesulfinylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione
C20H26O8S (426.13483160000004)
(1r,14s)-11,14-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
methyl 4-hydroxy-2-{[4-hydroxy-3-(2-oxopropyl)phenyl]methyl}-3-(4-methoxyphenyl)-5-oxofuran-2-carboxylate
1,4-dimethyl 2-(2h-1,3-benzodioxol-5-ylmethylidene)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioate
7-(chloromethyl)-7-hydroxy-2-(hydroxymethyl)-11-methyl-6,12-dioxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-1(13),2-dien-9-yl 2-methylbut-2-enoate
8,9-bis(acetyloxy)-12-oxo-10,11a-dihydro-5ah-5,11-dioxatetraphen-3-yl acetate
5-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-8,8-dimethylpyrano[3,2-g]chromen-4-one
(1r,4r,5s,9s,11r,14s,15s,18s,19s)-5,15,18-trihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁴,¹⁹]docosane-2,8,12-trione
6-[(7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromen-5-yl)methyl]-5,7-dihydroxy-2,8-dimethylchromen-4-one
2-[4-(3,4-dihydroxyphenyl)-7-hydroxy-6-methylnaphthalene-2-carbonyloxy]butanedioic acid
1,4-dimethyl (2e,3e)-2-(2h-1,3-benzodioxol-5-ylmethylidene)-3-[(3,4-dimethoxyphenyl)methylidene]butanedioate
methyl 6-[2-(but-2-en-2-yl)-3-chloro-4,6-dihydroxy-5-methylphenoxy]-3-chloro-4-hydroxy-2-methylbenzoate
(2e,5s)-6,6-dichloro-3-methoxy-n,5-dimethyl-n-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]hex-2-enamide
5-(acetyloxy)-3-[4-(acetyloxy)phenyl]-6-methoxy-4-oxochromen-7-yl acetate
(1s,2r,4s,5r,10s,14s,17r)-5-[(2r)-2-hydroxy-1-methanesulfonylpropan-2-yl]-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.0²,⁴.0⁴,⁹.0¹⁴,¹⁷]heptadec-8-ene-7,15-dione
C20H26O8S (426.13483160000004)
{6-[(6,8-dihydroxy-3-methyl-1-oxoisochromen-4-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl}methyl acetate
C19H22O11 (426.11620619999997)
5,9,14-trihydroxy-6-(2-hydroxypropan-2-yl)-18,18-dimethyl-2,7,19-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁵,²⁰]henicosa-1(21),3,8,10,13,15(20),16-heptaen-12-one
6-(acetyloxy)-5-[(benzoyloxy)methyl]-4,5-dihydroxycyclohex-2-en-1-yl benzoate
methyl 3-[(11,13-dihydroxy-4-methyl-2,10-dioxo-4,5,6,7,8,9-hexahydro-1h-3-benzoxacyclododecin-8-yl)sulfanyl]-2-hydroxypropanoate
C20H26O8S (426.13483160000004)
10,21-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
1-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
5-(2-chloro-1-hydroxyethyl)-4a-hydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,5h,6h-pyrano[3,4-c]pyran-1-one
2-(acetyloxy)-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propyl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
(1r,4s,5s,6s)-4-(acetyloxy)-5-[(benzoyloxy)methyl]-5,6-dihydroxycyclohex-2-en-1-yl benzoate
[3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methoxysulfonic acid
C15H22O12S (426.08319320000004)
(4ar,5r,6s)-5-[(1s)-2-chloro-1-hydroxyethyl]-4a-hydroxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,5h,6h-pyrano[3,4-c]pyran-1-one
[(2r,3s,4s,5r,6s)-6-[(6,8-dihydroxy-3-methyl-1-oxoisochromen-4-yl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate
C19H22O11 (426.11620619999997)
(1r,6r,13r)-13-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
2-bromo-5-[(3-hydroxy-2,4,4-trimethylcyclohex-1-en-1-yl)methyl]phenazin-1-one
(2s)-2-[4-(3,4-dihydroxyphenyl)-7-hydroxy-6-methylnaphthalene-2-carbonyloxy]butanedioic acid
6-{[(7r,8s)-7,8-dihydroxy-3,7-dimethyl-6-oxo-8h-isochromen-5-yl]methyl}-5,7-dihydroxy-2,8-dimethylchromen-4-one
3,4,7,14-tetrahydroxy-2,2,10,10-tetramethyl-3,4-dihydro-1,11,13-trioxapentacen-6-one
(1s,4r,5s,6s)-6-(acetyloxy)-2-[(benzoyloxy)methyl]-4,5-dihydroxycyclohex-2-en-1-yl benzoate
4-carboxy-4,17,19-trihydroxy-11-methyl-2,13-dioxo-12-oxa-6-thiatricyclo[13.4.0.0³,⁷]nonadeca-1(19),15,17-trien-6-ium-6-olate
(1s,6s,13r)-1-hydroxy-6-(3-hydroxyprop-1-en-2-yl)-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
(1r,6r,13r)-10,13-dihydroxy-16,17-dimethoxy-6-(prop-1-en-2-yl)-2,7,20-trioxapentacyclo[11.8.0.0³,¹¹.0⁴,⁸.0¹⁴,¹⁹]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
2-amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]amino}-6-oxocyclohex-1-ene-1-carboximidic acid
C20H18N4O7 (426.11754379999996)
3-(3,4-dihydroxyphenyl)-8,10-dihydroxy-5-(2,4,6-trihydroxyphenyl)-2,4-dioxatricyclo[5.4.0.0³,⁵]undeca-1(11),7,9-trien-6-one
C21H14O10 (426.05869440000004)
(1s,14r)-11,14-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁵,²⁰]docosa-3,5,9,11,15(20),16,18-heptaen-13-one
(3r,4r,5r)-2-amino-3,4-dihydroxy-5-{[8-(hydroxymethyl)-3-oxophenoxazin-2-yl]amino}-6-oxocyclohex-1-ene-1-carboximidic acid
C20H18N4O7 (426.11754379999996)
2-bromo-5-{[4-(hydroxymethyl)-2,4-dimethylcyclohex-1-en-1-yl]methyl}phenazin-1-one
(4ar,5r,6s)-5-[(1s)-2-chloro-1-hydroxyethyl]-4a-hydroxy-6-{[(2s,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,4h,5h,6h-pyrano[3,4-c]pyran-1-one
9'-hydroxy-3,4-dimethoxy-5',5'-dimethyl-6',14',17'-trioxaspiro[cyclohexane-1,13'-tetracyclo[8.7.0.0²,⁷.0¹²,¹⁶]heptadecane]-1',2,3',4,7',9'-hexaene-6,11'-dione
3-bromo-2-hydroxy-6-[5-isopropyl-2-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]-4-methylbenzoic acid
C20H27BrO5 (426.10417520000004)