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CHEBI:197144 - clavulolactone III

ChEBI IDCHEBI:197144
ChEBI Nameclavulolactone III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O5
Net Charge0
Average Mass372.461
Monoisotopic Mass372.19367
SMILESCCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H]1CCC(=O)O1
InChIInChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11+/t18-,22-/m0/s1
InChIKeyHSBZTFDKHKMFDC-PLWPPGCESA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
clavulolactone III (CHEBI:197144) is a clavulone (CHEBI:36092)
IUPAC Name 
[(1S,5Z)-1-[(Z)-oct-2-enyl]-4-oxo-5-[(E)-3-[(2R)-5-oxooxolan-2-yl]prop-2-enylidene]cyclopent-2-en-1-yl] acetate
Manual XrefsDatabases
LMFA03120017LIPID MAPS
4446352ChemSpider