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CHEBI:185593 - 6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185593
ChEBI Name6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H38O13
Net Charge0
Average Mass690.698
Monoisotopic Mass690.23124
SMILESCC1=CC(c2c(O)cccc2OC2OC(C(=O)O)C(O)C(O)C2O)C(C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)C(c2ccc(O)cc2O)C1
InChIInChI=1S/C37H38O13/c1-16-13-21(18-8-7-17(38)15-24(18)40)27(30(42)20-9-10-25-19(29(20)41)11-12-37(2,3)50-25)22(14-16)28-23(39)5-4-6-26(28)48-36-33(45)31(43)32(44)34(49-36)35(46)47/h4-12,14-15,21-22,27,31-34,36,38-41,43-45H,13H2,1-3H3,(H,46,47)
InChIKeyGOZJOBZPZNCIQR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-{2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185593) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[2-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126403HMDB