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CHEBI:9906 - Ursiniolide A

ChEBI IDCHEBI:9906
ChEBI NameUrsiniolide A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H28O7
Net Charge0
Average Mass404.459
Monoisotopic Mass404.18350
SMILES[H][C@]12/C=C(\C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C22H28O7/c1-11-7-8-16(26-15(5)23)12(2)10-18-19(13(3)20(24)27-18)17(9-11)28-21(25)22(6)14(4)29-22/h7,10,14,16-19H,3,8-9H2,1-2,4-6H3/b11-7+,12-10+/t14-,16+,17-,18+,19-,22-/m1/s1
InChIKeyXBYFQUZGOAYUQG-RNDOSCADSA-N
ChEBI Ontology
Outgoing Relation(s)
Ursiniolide A (CHEBI:9906) is a germacranolide (CHEBI:73011)
Synonym  Source
Ursiniolide AKEGG COMPOUND
Manual XrefsDatabases
C09572KEGG COMPOUND
C00003382KNApSAcK
Registry NumbersSources
CAS:52677-96-0KEGG COMPOUND