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CHEBI:174907 - 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen

ChEBI IDCHEBI:174907
ChEBI Name9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O5
Net Charge0
Average Mass368.429
Monoisotopic Mass368.16237
SMILESCOc1c2occc2c(OC/C=C(\C)CCC=C(C)C)c2ccc(=O)oc12
InChIInChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-25-19-16-8-9-18(23)27-21(16)22(24-4)20-17(19)11-13-26-20/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+
InChIKeyOQHQALGVQDTJDN-XNTDXEJSSA-N
ChEBI Ontology
Outgoing Relation(s)
9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen (CHEBI:174907) is a psoralens (CHEBI:26369)
IUPAC Name 
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-9-methoxyuro[3,2-g]chromen-7-one
Manual XrefsDatabases
4944685ChemSpider
HMDB0039057HMDB
Registry NumbersSources
CAS:69239-53-8ChemIDplus