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CHEBI:8236 - Piperdial

ChEBI IDCHEBI:8236
ChEBI NamePiperdial
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILES[H][C@@]12CC(C)(C)C[C@]1([H])[C@@H](C)C=C(C=O)[C@H](C=O)[C@H]2O
InChIInChI=1S/C15H22O3/c1-9-4-10(7-16)13(8-17)14(18)12-6-15(2,3)5-11(9)12/h4,7-9,11-14,18H,5-6H2,1-3H3/t9-,11+,12+,13-,14-/m0/s1
InChIKeyXXMVNOYKYOCDTD-OMRNGCIESA-N
ChEBI Ontology
Outgoing Relation(s)
Piperdial (CHEBI:8236) is a secondary alcohol (CHEBI:35681)
Synonym  Source
PiperdialKEGG COMPOUND
Manual XrefsDatabases
C09711KEGG COMPOUND
C00003174KNApSAcK
Registry NumbersSources
CAS:100288-36-6KEGG COMPOUND