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CHEBI:203335 - Phellinene acid A

ChEBI IDCHEBI:203335
ChEBI NamePhellinene acid A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESC=C1CC[C@H](O)C(C)(C)[C@@H]1CCC(C)CC(=O)O
InChIInChI=1S/C15H26O3/c1-10(9-14(17)18)5-7-12-11(2)6-8-13(16)15(12,3)4/h10,12-13,16H,2,5-9H2,1,3-4H3,(H,17,18)/t10?,12-,13+/m1/s1
InChIKeyNVXZQXONYVZZPN-SOYIIFOFSA-N
Species of MetaboliteComponentSourceComments
Phellinus (ncbitaxon:40470) - PubMed (22574939)
ChEBI Ontology
Outgoing Relation(s)
Phellinene acid A (CHEBI:203335) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
5-[(1R,3S)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpentanoic acid
Manual XrefsDatabases
78440941ChemSpider