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CHEBI:199395 - Flammulinolide E

ChEBI IDCHEBI:199395
ChEBI NameFlammulinolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O3
Net Charge0
Average Mass234.295
Monoisotopic Mass234.12559
SMILESCC1(C)C=C2C3=C(COC3=O)[C@@](C)(O)C[C@H]2C1
InChIInChI=1S/C14H18O3/c1-13(2)4-8-5-14(3,16)10-7-17-12(15)11(10)9(8)6-13/h6,8,16H,4-5,7H2,1-3H3/t8-,14+/m1/s1
InChIKeyBKWDAGVLBIHJQD-CLAHSXSESA-N
Species of MetaboliteComponentSourceComments
Flammulina velutipes (ncbitaxon:38945) - DOI (10.1016/j.tet.2012.02.021)
ChEBI Ontology
Outgoing Relation(s)
Flammulinolide E (CHEBI:199395) is a butenolide (CHEBI:50523)
IUPAC Name 
(4S,5aR)-4-hydroxy-4,7,7-trimethyl-3,5,5a,6-tetrahydrocyclopenta[g][2]benzouran-1-one
Manual XrefsDatabases
78436498ChemSpider