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CHEBI:174648 - Safficinolide

ChEBI IDCHEBI:174648
ChEBI NameSafficinolide
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FormulaC20H24O5
Net Charge0
Average Mass344.407
Monoisotopic Mass344.16237
SMILESCC(C)c1cc(C=O)c2c(c1O)OC(=O)C1C(C)(C)CCCC21C=O
InChIInChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)14-16(15(13)23)25-18(24)17-19(3,4)6-5-7-20(14,17)10-22/h8-11,17,23H,5-7H2,1-4H3
InChIKeyVBEKTSBYXBBXEO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Safficinolide (CHEBI:174648) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
4-hydroxy-7,7-dimethyl-6-oxo-3-propan-2-yl-6a,8,9,10-tetrahydrobenzo[c]chromene-1,10a-dicarbaldehyde
Manual XrefsDatabases
HMDB0040421HMDB
35014944ChemSpider