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CHEBI:217922 - 3-O-formyl inonotic acid A

ChEBI IDCHEBI:217922
ChEBI Name3-O-formyl inonotic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O5
Net Charge0
Average Mass298.379
Monoisotopic Mass298.17802
SMILESCC(=CCCC(C)C(=O)O)[C@H]1CC[C@@](C)(O)[C@@H](OC=O)C1
InChIInChI=1S/C16H26O5/c1-11(5-4-6-12(2)15(18)19)13-7-8-16(3,20)14(9-13)21-10-17/h5,10,12-14,20H,4,6-9H2,1-3H3,(H,18,19)/t12?,13-,14-,16+/m0/s1
InChIKeyLVQWRRKTHOPOBM-UQZKSWFMSA-N
Species of MetaboliteComponentSourceComments
Inonotus rickii (ncbitaxon:184120) - PubMed (24974836)
ChEBI Ontology
Outgoing Relation(s)
3-O-formyl inonotic acid A (CHEBI:217922) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
6-[(1S,3S,4R)-3-ormyloxy-4-hydroxy-4-methylcyclohexyl]-2-methylhept-5-enoic acid
Manual XrefsDatabases
78441164ChemSpider