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CHEBI:82265 - Propyl isome

ChEBI IDCHEBI:82265
ChEBI NamePropyl isome
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DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILESCCCOC(=O)C1c2cc3c(cc2CC(C)C1C(=O)OCCC)OCO3
InChIInChI=1S/C20H26O6/c1-4-6-23-19(21)17-12(3)8-13-9-15-16(26-11-25-15)10-14(13)18(17)20(22)24-7-5-2/h9-10,12,17-18H,4-8,11H2,1-3H3
InChIKeyUEKQGZQLUMSLNW-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Propyl isome (CHEBI:82265) is a naphthoic acid (CHEBI:25483)
Synonym  Source
1,2,3,4-Tetrahydro-3-methyl-6,7-methylenebisoxynaphthalene-1,2-dicarboxylic acid dipropylKEGG COMPOUND
Manual XrefsDatabases
C19145KEGG COMPOUND
Registry NumbersSources
CAS:83-59-0KEGG COMPOUND