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CHEBI:9962 - Vernoflexuoside

ChEBI IDCHEBI:9962
ChEBI NameVernoflexuoside
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H28O8
Net Charge0
Average Mass408.447
Monoisotopic Mass408.17842
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])CCC(=C)[C@]1([H])C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@]21[H]
InChIInChI=1S/C21H28O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1
InChIKeyOIOLZODVFMMERF-GHSWTDDMSA-N
ChEBI Ontology
Outgoing Relation(s)
Vernoflexuoside (CHEBI:9962) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
VernoflexuosideKEGG COMPOUND
Manual XrefsDatabases
C09579KEGG COMPOUND
C00003387KNApSAcK
Registry NumbersSources
CAS:57576-33-7KEGG COMPOUND