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CHEBI:214852 - Xylarenic acid

ChEBI IDCHEBI:214852
ChEBI NameXylarenic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESC/C(C(=O)O)=C1\CC(C)(C)C[C@H]2[C@H]1CC[C@]2(C)O
InChIInChI=1S/C15H24O3/c1-9(13(16)17)11-7-14(2,3)8-12-10(11)5-6-15(12,4)18/h10,12,18H,5-8H2,1-4H3,(H,16,17)/b11-9-/t10-,12-,15-/m0/s1
InChIKeyFMPSNIUPCNLEGV-GJLKANHGSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodiaspecies (ncbitaxon:1891967) - DOI (10.1002/hlca.200890011)
ChEBI Ontology
Outgoing Relation(s)
Xylarenic acid (CHEBI:214852) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2Z)-2-[(1S,3aR,7aS)-1-hydroxy-1,6,6-trimethyl-2,3,3a,5,7,7a-hexahydroinden-4-ylidene]propanoic acid
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78441137ChemSpider