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CHEBI:229066 - Baimuxinfuranic acid

ChEBI IDCHEBI:229066
ChEBI NameBaimuxinfuranic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILES[H][C@@]12CCC3(C)CCC[C@H](C(=O)O)[C@]3(C1)OC2(C)C
InChIInChI=1S/C15H24O3/c1-13(2)10-6-8-14(3)7-4-5-11(12(16)17)15(14,9-10)18-13/h10-11H,4-9H2,1-3H3,(H,16,17)/t10-,11-,14?,15+/m1/s1
InChIKeyFBCQEKXQPBVBAL-BOMXSZCTSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Baimuxinfuranic acid (CHEBI:229066) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
Manual XrefsDatabases
4479246ChemSpider