Neocarzilin A (CHEBI:200123)

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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	Neocarzilin A

ChEBI ID	CHEBI:200123

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H17Cl3O2

Net Charge

Average Mass

323.640

Monoisotopic Mass

322.02941

InChI

InChI=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

InChIKey

XOJPDOWNAJBCPS-POZUUYKTSA-N

SMILES

ClC(Cl)(Cl)C(=O)/C=C(\O)/C=C/C=C/C=C/[C@H](CC)C

Metabolite of Species	Details
Streptomyces carzinostaticus (NCBI:txid1897)	See: DOI

ChEBI Ontology
Outgoing	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