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CHEBI:5240 - Gaillardin

ChEBI IDCHEBI:5240
ChEBI NameGaillardin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILES[H][C@@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])C=C(C)[C@@]1([H])[C@@H](OC(C)=O)C[C@@]2(C)O
InChIInChI=1S/C17H22O5/c1-8-5-13-11(9(2)16(19)22-13)6-12-15(8)14(21-10(3)18)7-17(12,4)20/h5,11-15,20H,2,6-7H2,1,3-4H3/t11-,12-,13+,14+,15-,17-/m1/s1
InChIKeyUTPGJEROJZHISI-DFGCRIRUSA-N
ChEBI Ontology
Outgoing Relation(s)
Gaillardin (CHEBI:5240) is a sesquiterpene lactone (CHEBI:37667)
Synonym  Source
GaillardinKEGG COMPOUND
Manual XrefsDatabases
C09455KEGG COMPOUND
C00003288KNApSAcK
Registry NumbersSources
CAS:14682-46-3KEGG COMPOUND