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CHEBI:192053 - Pterosin E

ChEBI IDCHEBI:192053
ChEBI NamePterosin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O3
Net Charge0
Average Mass232.279
Monoisotopic Mass232.10994
SMILESCc1cc2c(c(C)c1CC(=O)O)C(=O)[C@H](C)C2
InChIInChI=1S/C14H16O3/c1-7-4-10-5-8(2)14(17)13(10)9(3)11(7)6-12(15)16/h4,8H,5-6H2,1-3H3,(H,15,16)/t8-/m1/s1
InChIKeyUYEZJDNVWNIIKS-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Pterosin E (CHEBI:192053) is a indanones (CHEBI:24789)
IUPAC Name 
2-[(2R)-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]acetic acid
Manual XrefsDatabases
130981ChemSpider
Registry NumbersSources
CAS:52528-78-6ChemIDplus