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CHEBI:217407 - Pestabacillin B

ChEBI IDCHEBI:217407
ChEBI NamePestabacillin B
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SubmitterMetaboLights
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FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=CC(=O)CC(C)(C)C1CCC(C)CC(=O)O
InChIInChI=1S/C15H24O3/c1-10(7-14(17)18)5-6-13-11(2)8-12(16)9-15(13,3)4/h8,10,13H,5-7,9H2,1-4H3,(H,17,18)
InChIKeyQLIJDZRMCHOSHG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pestabacillin B (CHEBI:217407) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-methyl-5-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)pentanoic acid
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