EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215035 - 6,6′-dinor-bipenicilisorin

ChEBI IDCHEBI:215035
ChEBI Name6,6′-dinor-bipenicilisorin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H14O12
Net Charge0
Average Mass470.342
Monoisotopic Mass470.04853
SMILESCOC(=O)c1cc2cc(O)c(-c3c(O)cc4cc(C(=O)OC)oc(=O)c4c3O)c(O)c2c(=O)o1
InChIInChI=1S/C22H14O12/c1-31-19(27)11-5-7-3-9(23)15(17(25)13(7)21(29)33-11)16-10(24)4-8-6-12(20(28)32-2)34-22(30)14(8)18(16)26/h3-6,23-26H,1-2H3
InChIKeyBHEQGSUFUDMFEA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2018.01.010)
ChEBI Ontology
Outgoing Relation(s)
6,6′-dinor-bipenicilisorin (CHEBI:215035) is a isocoumarins (CHEBI:38758)
IUPAC Name 
methyl 7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylate