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CHEBI:175561 - Pectachol

ChEBI IDCHEBI:175561
ChEBI NamePectachol
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FormulaC26H34O6
Net Charge0
Average Mass442.552
Monoisotopic Mass442.23554
SMILESC=C1CCC2C(C)(C)C(O)CCC2(C)C1COc1c(OC)cc2ccc(=O)oc2c1OC
InChIInChI=1S/C26H34O6/c1-15-7-9-19-25(2,3)20(27)11-12-26(19,4)17(15)14-31-23-18(29-5)13-16-8-10-21(28)32-22(16)24(23)30-6/h8,10,13,17,19-20,27H,1,7,9,11-12,14H2,2-6H3
InChIKeyQISGCNZPAGFKFT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pectachol (CHEBI:175561) is a coumarins (CHEBI:23403)
IUPAC Name 
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]-6,8-dimethoxychromen-2-one
Manual XrefsDatabases
35014734ChemSpider
HMDB0039064HMDB