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CHEBI:200938 - Eremofortin C

ChEBI IDCHEBI:200938
ChEBI NameEremofortin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O6
Net Charge0
Average Mass322.357
Monoisotopic Mass322.14164
SMILESCC(=O)O[C@H]1[C@H]2O[C@H]2C2=CC(=O)[C@]3(C[C@]2(C)[C@H]1C)O[C@]3(C)CO
InChIInChI=1S/C17H22O6/c1-8-12(21-9(2)19)14-13(22-14)10-5-11(20)17(6-15(8,10)3)16(4,7-18)23-17/h5,8,12-14,18H,6-7H2,1-4H3/t8-,12+,13-,14+,15+,16+,17-/m0/s1
InChIKeyAVFUXCSVVLQAGL-VIEAGMIOSA-N
Species of MetaboliteComponentSourceComments
Penicillium roqueforti (ncbitaxon:5082) - PubMed (874620)
ChEBI Ontology
Outgoing Relation(s)
Eremofortin C (CHEBI:200938) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1aR,2R,3R,3'R,3aR,5R,7bS)-3'-(hydroxymethyl)-3,3',3a-trimethyl-6-oxospiro[2,3,4,7b-tetrahydro-1aH-naphtho[1,2-b]oxirene-5,2'-oxirane]-2-yl] acetate
Manual XrefsDatabases
19979710ChemSpider