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CHEBI:8652 - Pycnolide

ChEBI IDCHEBI:8652
ChEBI NamePycnolide
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H28O6
Net Charge0
Average Mass364.438
Monoisotopic Mass364.18859
SMILES[H][C@]1(/C=C(\C)CO)OC(=O)C(=C)[C@]1([H])[C@@H](C/C(C)=C/CO)OC(=O)/C(C)=C\C
InChIInChI=1S/C20H28O6/c1-6-14(4)19(23)25-16(9-12(2)7-8-21)18-15(5)20(24)26-17(18)10-13(3)11-22/h6-7,10,16-18,21-22H,5,8-9,11H2,1-4H3/b12-7+,13-10+,14-6-/t16-,17-,18-/m1/s1
InChIKeyGHEIESSKOYFMTB-XSBMVCGPSA-N
ChEBI Ontology
Outgoing Relation(s)
Pycnolide (CHEBI:8652) is a terpene lactone (CHEBI:37668)
Synonym  Source
PycnolideKEGG COMPOUND
Manual XrefsDatabases
C09535KEGG COMPOUND
C00012419KNApSAcK
Registry NumbersSources
CAS:55306-05-3KEGG COMPOUND