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CHEBI:187540 - 6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:187540
ChEBI Name6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O10
Net Charge0
Average Mass496.468
Monoisotopic Mass496.13695
SMILESCC1(C)C=Cc2c(cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(-c4ccccc4)cc(=O)oc23)O1
InChIInChI=1S/C26H24O10/c1-26(2)9-8-13-15(36-26)11-16(33-25-21(30)19(28)20(29)23(35-25)24(31)32)18-14(10-17(27)34-22(13)18)12-6-4-3-5-7-12/h3-11,19-21,23,25,28-30H,1-2H3,(H,31,32)
InChIKeyLBWLGAFGMOXHER-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-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:187540) is a coumarins (CHEBI:23403)
6-({8,8-dimethyl-2-oxo-4-phenyl-2H,8H-pyrano[2,3-f]chromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:187540) is a glycoside (CHEBI:24400)
IUPAC Name 
6-(8,8-dimethyl-2-oxo-4-phenylpyrano[2,3-h]chromen-5-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0126096HMDB