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CHEBI:208833 - Penigrisacid A

ChEBI IDCHEBI:208833
ChEBI NamePenigrisacid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESCC(C)=C1CC[C@]2(C)C[C@@H]3O[C@]12CC[C@]3(O)C(=O)O
InChIInChI=1S/C15H22O4/c1-9(2)10-4-5-13(3)8-11-14(18,12(16)17)6-7-15(10,13)19-11/h11,18H,4-8H2,1-3H3,(H,16,17)/t11-,13+,14+,15+/m0/s1
InChIKeyXUDUAVCJVBKBTK-ZGKBOVNRSA-N
Species of MetaboliteComponentSourceComments
Penicillium griseofulvum (ncbitaxon:5078) - PubMed (31470535)
ChEBI Ontology
Outgoing Relation(s)
Penigrisacid A (CHEBI:208833) is a oxanes (CHEBI:46942)
IUPAC Name 
(1S,5R,7S,8R)-8-hydroxy-5-methyl-2-propan-2-ylidene-11-oxatricyclo[5.3.1.01,5]undecane-8-carboxylic acid
Manual XrefsDatabases
81131461ChemSpider