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CHEBI:214110 - Paneolilludinic acid

ChEBI IDCHEBI:214110
ChEBI NamePaneolilludinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=C2C[C@@](C)(C(=O)O)C[C@H]2C[C@](C)(O)C12CC2
InChIInChI=1S/C15H22O3/c1-9-11-8-13(2,12(16)17)6-10(11)7-14(3,18)15(9)4-5-15/h10,18H,4-8H2,1-3H3,(H,16,17)/t10-,13-,14-/m0/s1
InChIKeyKPHPOAIUDVWBRH-BPNCWPANSA-N
Species of MetaboliteComponentSourceComments
Panaeolus retirugis (ncbitaxon:582799) - PubMed (15712666)
ChEBI Ontology
Outgoing Relation(s)
Paneolilludinic acid (CHEBI:214110) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2S,3aS,5S)-5-hydroxy-2,5,7-trimethylspiro[1,3,3a,4-tetrahydroindene-6,1'-cyclopropane]-2-carboxylic acid
Manual XrefsDatabases
9656914ChemSpider