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CHEBI:201018 - Eupenicisirenin A

ChEBI IDCHEBI:201018
ChEBI NameEupenicisirenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC(C)=CCC[C@]1(C)[C@@H]2[C@H]1C=C(C(=O)O)C[C@@H]2O
InChIInChI=1S/C15H22O3/c1-9(2)5-4-6-15(3)11-7-10(14(17)18)8-12(16)13(11)15/h5,7,11-13,16H,4,6,8H2,1-3H3,(H,17,18)/t11-,12+,13-,15+/m1/s1
InChIKeyFDIVBBVUHYDHDS-COMQUAJESA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies LG41 (ncbitaxon:1564184) - PubMed (25356913)
ChEBI Ontology
Outgoing Relation(s)
Eupenicisirenin A (CHEBI:201018) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,5S,6S,7S)-5-hydroxy-7-methyl-7-(4-methylpent-3-enyl)bicyclo[4.1.0]hept-2-ene-3-carboxylic acid
Manual XrefsDatabases
58133401ChemSpider