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CHEBI:81136 - Notopterol

ChEBI IDCHEBI:81136
ChEBI NameNotopterol
Stars
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCC(C)=CC(O)C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
InChIKeyBKIACVAZUKISOR-MKMNVTDBSA-N
ChEBI Ontology
Outgoing Relation(s)
Notopterol (CHEBI:81136) is a furanocoumarin (CHEBI:24128)
Manual XrefsDatabases
C17499KEGG COMPOUND
Registry NumbersSources
CAS:88206-46-6KEGG COMPOUND