EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222637 - Luteosporin

ChEBI IDCHEBI:222637
ChEBI NameLuteosporin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H18O12
Net Charge0
Average Mass546.440
Monoisotopic Mass546.07983
SMILESCC1Cc2cc(O)c3c(c2C(=O)O1)C(=O)C(=O)C(C1=C(O)c2c(O)cc4c(c2C(=O)C1=O)C(=O)OC(C)C4)=C3O
InChIInChI=1S/C28H18O12/c1-7-3-9-5-11(29)15-17(13(9)27(37)39-7)23(33)25(35)19(21(15)31)20-22(32)16-12(30)6-10-4-8(2)40-28(38)14(10)18(16)24(34)26(20)36/h5-8,29-32H,3-4H2,1-2H3
InChIKeyLRSMMSOKJBQFJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (3839502)
ChEBI Ontology
Outgoing Relation(s)
Luteosporin (CHEBI:222637) is a organic heterotricyclic compound (CHEBI:26979)
Luteosporin (CHEBI:222637) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
8-(6,7-dihydroxy-3-methyl-1,9,10-trioxo-3,4-dihydrobenzo[h]isochromen-8-yl)-6,7-dihydroxy-3-methyl-3,4-dihydrobenzo[h]isochromene-1,9,10-trione
Manual XrefsDatabases
78436029ChemSpider