EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216947 - Epoxydine B

ChEBI IDCHEBI:216947
ChEBI NameEpoxydine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12O7
Net Charge0
Average Mass268.221
Monoisotopic Mass268.05830
SMILESO=C(O[C@@H]1C(=O)C(CO)=C[C@@H](O)[C@H]1O)c1ccco1
InChIInChI=1S/C12H12O7/c13-5-6-4-7(14)10(16)11(9(6)15)19-12(17)8-2-1-3-18-8/h1-4,7,10-11,13-14,16H,5H2/t7-,10-,11-/m1/s1
InChIKeyIUPQIDXKBSJTMR-AVPPRXQKSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Epoxydine B (CHEBI:216947) has functional parent 2-furoic acid (CHEBI:30845)
Epoxydine B (CHEBI:216947) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1S,5R,6R)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] uran-2-carboxylate
Manual XrefsDatabases
78437569ChemSpider