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CHEBI:175735 - Isoglycycoumarin

ChEBI IDCHEBI:175735
ChEBI NameIsoglycycoumarin
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SubmitterMetaboLights
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FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(C)CC2
InChIInChI=1S/C21H20O6/c1-21(2)7-6-13-18(27-21)10-17-15(19(13)25-3)9-14(20(24)26-17)12-5-4-11(22)8-16(12)23/h4-5,8-10,22-23H,6-7H2,1-3H3
InChIKeyPHHAXWBLJNBVNS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoglycycoumarin (CHEBI:175735) is a isoflavonoid (CHEBI:50753)
Isoglycycoumarin (CHEBI:175735) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
7-(2,4-dihydroxyphenyl)-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Manual XrefsDatabases
LMPK12160020LIPID MAPS
HMDB0038873HMDB
24846665ChemSpider