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CHEBI:200123 - Neocarzilin A

ChEBI IDCHEBI:200123
ChEBI NameNeocarzilin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17Cl3O2
Net Charge0
Average Mass323.647
Monoisotopic Mass322.02941
SMILESCC[C@H](C)/C=C/C=C/C=C/C(O)=C/C(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H17Cl3O2/c1-3-11(2)8-6-4-5-7-9-12(18)10-13(19)14(15,16)17/h4-11,18H,3H2,1-2H3/b5-4+,8-6+,9-7+,12-10-/t11-/m0/s1
InChIKeyXOJPDOWNAJBCPS-POZUUYKTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces carzinostaticus (ncbitaxon:1897) - DOI (10.1016/s0040-4039(00)60820-1)
ChEBI Ontology
Outgoing Relation(s)
Neocarzilin A (CHEBI:200123) is a enone (CHEBI:51689)
IUPAC Name 
(3Z,5E,7E,9E)-1,1,1-trichloro-4-hydroxy-11-methyltrideca-3,5,7,9-tetraen-2-one
Manual XrefsDatabases
8557000ChemSpider