pterosin j (CHEBI:230635)

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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	pterosin j

ChEBI ID	CHEBI:230635

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H17ClO2

Net Charge

Average Mass

252.740

Monoisotopic Mass

252.09171

InChI

InChI=1S/C14H17ClO2/c1-7-6-11-12(8(2)10(7)4-5-15)14(17)9(3)13(11)16/h6,9,13,16H,4-5H2,1-3H3

InChIKey

QKHXGZXWZRQICQ-UHFFFAOYSA-N

SMILES

ClCCC1=C(C2=C(C(O)C(C2=O)C)C=C1C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	pterosin j (CHEBI:230635) is a organic molecular entity (CHEBI:50860)

IUPAC Name

6-(2-chloroethyl)-3-hydroxy-2,5,7-trimethyl-2,3-dihydroinden-1-one