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CHEBI:169521 - Pterosin H

ChEBI IDCHEBI:169521
ChEBI NamePterosin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H19ClO
Net Charge0
Average Mass250.769
Monoisotopic Mass250.11244
SMILESCc1cc2c(c(C)c1CCCl)C(=O)C(C)(C)C2
InChIInChI=1S/C15H19ClO/c1-9-7-11-8-15(3,4)14(17)13(11)10(2)12(9)5-6-16/h7H,5-6,8H2,1-4H3
InChIKeyCPNGMVOUDSBLOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Pterosin H (CHEBI:169521) is a indanones (CHEBI:24789)
IUPAC Name 
6-(2-chloroethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Manual XrefsDatabases
118985ChemSpider
HMDB0038217HMDB
Registry NumbersSources
CAS:39004-41-6ChemIDplus