EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225235 - 6-hydroxy-8-methoxy-3alpha-methyl-3alpha,9beta-dihydro-3H-furo[3,2-c]isochromene-2,5-dione

ChEBI IDCHEBI:225235
ChEBI Name6-hydroxy-8-methoxy-3alpha-methyl-3alpha,9beta-dihydro-3H-furo[3,2-c]isochromene-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O6
Net Charge0
Average Mass264.233
Monoisotopic Mass264.06339
SMILESCOc1cc(O)c2c(c1)[C@H]1OC(=O)C[C@@]1(C)OC2=O
InChIInChI=1S/C13H12O6/c1-13-5-9(15)18-11(13)7-3-6(17-2)4-8(14)10(7)12(16)19-13/h3-4,11,14H,5H2,1-2H3/t11-,13-/m1/s1
InChIKeyPLIBTGHSLMVVKU-DGCLKSJQSA-N
Species of MetaboliteComponentSourceComments
[Ulocladiumspecies (ncbitaxon:1914427) - PubMed (22061662)
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy-8-methoxy-3alpha-methyl-3alpha,9beta-dihydro-3H-furo[3,2-c]isochromene-2,5-dione (CHEBI:225235) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3aR,9bR)-6-hydroxy-8-methoxy-3a-methyl-3,9b-dihydrouro[3,2-c]isochromene-2,5-dione
Manual XrefsDatabases
78441425ChemSpider