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CHEBI:174301 - Ketosantalic acid

ChEBI IDCHEBI:174301
ChEBI NameKetosantalic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC(CC(=O)CC1(C)C2CC3C(C2)C31C)C(=O)O
InChIInChI=1S/C15H22O3/c1-8(13(17)18)4-10(16)7-14(2)9-5-11-12(6-9)15(11,14)3/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyPJKNORSNWWYCMC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ketosantalic acid (CHEBI:174301) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methyl-4-oxopentanoic acid
Manual XrefsDatabases
HMDB0035358HMDB
35013909ChemSpider