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CHEBI:225229 - (3S)-3beta-(3-Furyl)-4alpha-acetoxy-7alpha,5alpha-(epoxymethano)-5-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzopyran-1,10-dione

Default Structure
ChEBI IDCHEBI:225229
ChEBI Name(3S)-3beta-(3-Furyl)-4alpha-acetoxy-7alpha,5alpha-(epoxymethano)-5-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzopyran-1,10-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O7
Net Charge0
Average Mass332.308
Monoisotopic Mass332.08960
SMILESCC(=O)O[C@@H]1C2=C(C[C@@H]3C[C@@]2(C)C(=O)O3)C(=O)O[C@H]1c1ccoc1
InChIInChI=1S/C17H16O7/c1-8(18)22-14-12-11(5-10-6-17(12,2)16(20)23-10)15(19)24-13(14)9-3-4-21-7-9/h3-4,7,10,13-14H,5-6H2,1-2H3/t10-,13+,14-,17-/m1/s1
InChIKeyVNAATXHIZVJNJJ-KEAXFYSCSA-N
Species of MetaboliteComponentSourceComments
Rhodocollybia maculata (ncbitaxon:2074862) - DOI (10.1016/s0040-4020(01)00120-x)
ChEBI Ontology
Outgoing Relation(s)
(3S)-3beta-(3-Furyl)-4alpha-acetoxy-7alpha,5alpha-(epoxymethano)-5-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzopyran-1,10-dione (CHEBI:225229) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[(1R,3R,4S,9R)-4-(uran-3-yl)-1-methyl-6,11-dioxo-5,10-dioxatricyclo[7.2.1.02,7]dodec-2(7)-en-3-yl] acetate
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