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CHEBI:230635 - pterosin j

Default Structure
ChEBI IDCHEBI:230635
ChEBI Namepterosin j
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H17ClO2
Net Charge0
Average Mass252.741
Monoisotopic Mass252.09171
SMILESCc1cc2c(c(C)c1CCCl)C(=O)C(C)C2O
InChIInChI=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
InChIKeyQKHXGZXWZRQICQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
4478770ChemSpider
HMDB0038161HMDB