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CHEBI:182713 - 6-Oxocativic acid

ChEBI IDCHEBI:182713
ChEBI Name6-Oxocativic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)O
InChIInChI=1S/C20H32O3/c1-13(11-17(22)23)7-8-15-14(2)12-16(21)18-19(3,4)9-6-10-20(15,18)5/h12-13,15,18H,6-11H2,1-5H3,(H,22,23)/t13-,15-,18?,20+/m0/s1
InChIKeyJJGYRVZPUJUFTR-DRWSLCSESA-N
ChEBI Ontology
Outgoing Relation(s)
6-Oxocativic acid (CHEBI:182713) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3S)-5-[(1S,8aR)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
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