EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223776 - Clavicorolide A

ChEBI IDCHEBI:223776
ChEBI NameClavicorolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC1(C)C[C@H]2[C@H](O)C3=C(C(=O)OC3)[C@](C)(CO)[C@H]2C1
InChIInChI=1S/C15H22O4/c1-14(2)4-8-10(5-14)15(3,7-16)11-9(12(8)17)6-19-13(11)18/h8,10,12,16-17H,4-7H2,1-3H3/t8-,10+,12+,15-/m1/s1
InChIKeyPPOQVDUBGKZVGB-RNLHFVIUSA-N
Species of MetaboliteComponentSourceComments
Artomyces pyxidatus (ncbitaxon:48021) - PubMed (19053492)
ChEBI Ontology
Outgoing Relation(s)
Clavicorolide A (CHEBI:223776) is a butenolide (CHEBI:50523)
IUPAC Name 
(4S,4aR,7aS,8R)-4-hydroxy-8-(hydroxymethyl)-6,6,8-trimethyl-3,4,4a,5,7,7a-hexahydrocyclopenta[][2]benzouran-1-one
Manual XrefsDatabases
28285965ChemSpider