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CHEBI:8624 - Ptaeroglycol

ChEBI IDCHEBI:8624
ChEBI NamePtaeroglycol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H14O6
Net Charge0
Average Mass290.271
Monoisotopic Mass290.07904
SMILESCc1cc(=O)c2c(O)c3c(cc2o1)OCC(O)(CO)C=C3
InChIInChI=1S/C15H14O6/c1-8-4-10(17)13-12(21-8)5-11-9(14(13)18)2-3-15(19,6-16)7-20-11/h2-5,16,18-19H,6-7H2,1H3
InChIKeyIVVDHMXDSFGHMC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ptaeroglycol (CHEBI:8624) is a oxacycle (CHEBI:38104)
Synonym  Source
PtaeroglycolKEGG COMPOUND
Manual XrefsDatabases
C09030KEGG COMPOUND
C00002442KNApSAcK
Registry NumbersSources
CAS:18836-12-9KEGG COMPOUND