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CHEBI:6029 - Isomontanolide

ChEBI IDCHEBI:6029
ChEBI NameIsomontanolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H30O7
Net Charge0
Average Mass406.475
Monoisotopic Mass406.19915
SMILES[H][C@]12CC=C(C)[C@@]1([H])[C@]1([H])OC(=O)[C@@](C)(OC(C)=O)[C@]1([H])[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)O
InChIInChI=1S/C22H30O7/c1-7-11(2)19(24)27-15-10-21(5,26)14-9-8-12(3)16(14)18-17(15)22(6,20(25)28-18)29-13(4)23/h7-8,14-18,26H,9-10H2,1-6H3/b11-7-/t14-,15-,16+,17+,18-,21-,22-/m0/s1
InChIKeyLCVDISRHEKGNOL-TVCRMXSMSA-N
ChEBI Ontology
Outgoing Relation(s)
Isomontanolide (CHEBI:6029) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
IsomontanolideKEGG COMPOUND
Manual XrefsDatabases
C09486KEGG COMPOUND
C00003308KNApSAcK
Registry NumbersSources
CAS:38114-47-5KEGG COMPOUND