CHEBI:197144 - clavulolactone III

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name clavulolactone III
ChEBI ID CHEBI:197144
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H28O5
Net Charge 0
Average Mass 372.461
Monoisotopic Mass 372.19367
InChI InChI=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
InChIKey HSBZTFDKHKMFDC-PLWPPGCESA-N
SMILES O([C@]1(C/C=C\CCCCC)/C(/C(=O)C=C1)=C/C=C/[C@@H]2OC(=O)CC2)C(=O)C
Metabolite of Species Details
Cannabis sativa (NCBI:txid3483) Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4446352 ChemSpider
LMFA03120017 LIPID MAPS
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