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CHEBI:175789 - 6',7'-Dihydroxybergamottin

ChEBI IDCHEBI:175789
ChEBI Name6',7'-Dihydroxybergamottin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O6
Net Charge0
Average Mass372.417
Monoisotopic Mass372.15729
SMILESC/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O
InChIInChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+
InChIKeyIXZUPBUEKFXTSD-MDWZMJQESA-N
ChEBI Ontology
Outgoing Relation(s)
6',7'-Dihydroxybergamottin (CHEBI:175789) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
C22156KEGG COMPOUND
4944758ChemSpider
Registry NumbersSources
CAS:71339-34-9ChemIDplus