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CHEBI:781 - 17-Oxogrindelic acid

ChEBI IDCHEBI:781
ChEBI Name17-Oxogrindelic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILES[H][C@@]12CC=C(C=O)[C@]3(CC[C@@](C)(CC(=O)O)O3)[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H30O4/c1-17(2)8-5-9-19(4)15(17)7-6-14(13-21)20(19)11-10-18(3,24-20)12-16(22)23/h6,13,15H,5,7-12H2,1-4H3,(H,22,23)/t15-,18-,19-,20+/m0/s1
InChIKeyATEDUZJBBLDWGB-MVJPYGJCSA-N
ChEBI Ontology
Outgoing Relation(s)
17-Oxogrindelic acid (CHEBI:781) is a diterpenoid (CHEBI:23849)
Synonym  Source
17-Oxogrindelic acidKEGG COMPOUND
Manual XrefsDatabases
C09150KEGG COMPOUND
C00003462KNApSAcK
Registry NumbersSources
CAS:151625-35-3KEGG COMPOUND