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CHEBI:184459 - 6-(2-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184459
ChEBI Name6-(2-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H26O11
Net Charge0
Average Mass526.494
Monoisotopic Mass526.14751
SMILESCOc1ccc(-c2cc3ccc4c(c3oc2=O)C=CC(C)(C)O4)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChIInChI=1S/C27H26O11/c1-27(2)9-8-15-17(38-27)7-4-12-10-16(25(33)36-22(12)15)14-6-5-13(34-3)11-18(14)35-26-21(30)19(28)20(29)23(37-26)24(31)32/h4-11,19-21,23,26,28-30H,1-3H3,(H,31,32)
InChIKeyDIGDNJCMZYEPIO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-(2-{8,8-dimethyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl}-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184459) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
6-[2-(8,8-dimethyl-2-oxopyrano[2,3-]chromen-3-yl)-5-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135723HMDB