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CHEBI:9961 - Vernoflexin

ChEBI IDCHEBI:9961
ChEBI NameVernoflexin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H24O4
Net Charge0
Average Mass328.408
Monoisotopic Mass328.16746
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CCC(=C)[C@]1([H])C[C@H](OC(=O)C=C(C)C)C(=C)[C@]21[H]
InChIInChI=1S/C20H24O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h8,14-16,18-19H,3-7,9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKeyCEKDWOBPPFOCDL-QAGGRKNESA-N
ChEBI Ontology
Outgoing Relation(s)
Vernoflexin (CHEBI:9961) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
VernoflexinKEGG COMPOUND
Manual XrefsDatabases
C09578KEGG COMPOUND
C00003386KNApSAcK
Registry NumbersSources
CAS:57576-43-9KEGG COMPOUND