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CHEBI:227878 - Lentinellic acid

ChEBI IDCHEBI:227878
ChEBI NameLentinellic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCC1(C)C[C@H]2[C@@H]3OC(=O)C(C(=O)O)=CC3=C3C(=O)C[C@]3(C)[C@H]2C1
InChIInChI=1S/C18H20O5/c1-17(2)5-10-11(6-17)18(3)7-12(19)13(18)8-4-9(15(20)21)16(22)23-14(8)10/h4,10-11,14H,5-7H2,1-3H3,(H,20,21)/t10-,11+,14-,18-/m1/s1
InChIKeyJMNIXMWRRYDXON-MSNRECKUSA-N
Species of MetaboliteComponentSourceComments
Lentinellus ursinus (ncbitaxon:40484) - PubMed (3388954)
ChEBI Ontology
Outgoing Relation(s)
Lentinellic acid (CHEBI:227878) is a pyranone (CHEBI:37963)
IUPAC Name 
(5R,6S,10R,11S)-5,8,8-trimethyl-3,13-dioxo-12-oxatetracyclo[9.4.0.02,5.06,10]pentadeca-1,14-diene-14-carboxylic acid
Manual XrefsDatabases
78438383ChemSpider