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CHEBI:190981 - 3-[(7s,8s)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid

ChEBI IDCHEBI:190981
ChEBI Name3-[(7s,8s)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O6
Net Charge0
Average Mass422.477
Monoisotopic Mass422.17294
SMILESC[C@@H]1Oc2c(c(O)c3c(c2C(CC(=O)O)c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C
InChIInChI=1S/C25H26O6/c1-13-14(2)30-24-19(17(12-18(26)27)15-8-6-5-7-9-15)23-16(10-11-25(3,4)31-23)22(29)20(24)21(13)28/h5-11,13-14,17,29H,12H2,1-4H3,(H,26,27)/t13-,14-,17?/m0/s1
InChIKeyCEJSYHIZUAMEQV-CBVZESEGSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
3-[(7s,8s)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid (CHEBI:190981) is a chromenes (CHEBI:23232)
IUPAC Name 
3-[(7S,8S)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7,8-dihydropyrano[3,2-g]chromen-10-yl]-3-phenylpropanoic acid
Manual XrefsDatabases
22913066ChemSpider