CHEBI:9962 - Vernoflexuoside

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ChEBI Name Vernoflexuoside
ChEBI ID CHEBI:9962
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O8
Net Charge 0
Average Mass 408.443
Monoisotopic Mass 408.17842
InChI InChI=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
InChIKey OIOLZODVFMMERF-GHSWTDDMSA-N
SMILES OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4CCC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing Vernoflexuoside (CHEBI:9962) is a sesquiterpene lactone (CHEBI:37667)
Synonym Source
Vernoflexuoside KEGG COMPOUND
Manual Xrefs Databases
C00003387 KNApSAcK
C09579 KEGG COMPOUND
View more database links
Registry Number Type Source
57576-33-7 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014