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CHEBI:186369 - chlorovulone II

ChEBI IDCHEBI:186369
ChEBI Namechlorovulone II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29ClO4
Net Charge0
Average Mass380.912
Monoisotopic Mass380.17544
SMILESCCCCC/C=C\C[C@@]1(O)C=C(Cl)C(=O)/C1=C/C=C/CCCC(=O)OC
InChIInChI=1S/C21H29ClO4/c1-3-4-5-6-9-12-15-21(25)16-18(22)20(24)17(21)13-10-7-8-11-14-19(23)26-2/h7,9-10,12-13,16,25H,3-6,8,11,14-15H2,1-2H3/b10-7+,12-9-,17-13-/t21-/m1/s1
InChIKeyCTIZPKYMYVPNGA-WSLYZSCVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Clavularia viridis (ncbitaxon:153213) - DOI (10.1016/s0040-4039(00)98927-5)
ChEBI Ontology
Outgoing Relation(s)
chlorovulone II (CHEBI:186369) is a clavulone (CHEBI:36092)
IUPAC Names 
methyl (E,7E)-7-[(2R)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
methyl (E,7E)-7-[4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
Manual XrefsDatabases
LMFA03120009LIPID MAPS
4446344ChemSpider
8605328ChemSpider