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CHEBI:175896 - Licopyranocoumarin

ChEBI IDCHEBI:175896
ChEBI NameLicopyranocoumarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(CO)CC2
InChIInChI=1S/C21H20O7/c1-21(10-22)6-5-13-18(28-21)9-17-15(19(13)26-2)8-14(20(25)27-17)12-4-3-11(23)7-16(12)24/h3-4,7-9,22-24H,5-6,10H2,1-2H3
InChIKeyMOBCUWLJOZHPQL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Licopyranocoumarin (CHEBI:175896) is a isoflavonoid (CHEBI:50753)
Licopyranocoumarin (CHEBI:175896) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
7-(2,4-dihydroxyphenyl)-2-(hydroxymethyl)-5-methoxy-2-methyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Manual XrefsDatabases
LMPK12160021LIPID MAPS
HMDB0038874HMDB
109515ChemSpider
Registry NumbersSources
CAS:117038-80-9ChemIDplus