EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223714 - Setomimycin

ChEBI IDCHEBI:223714
ChEBI NameSetomimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H28O9
Net Charge0
Average Mass580.589
Monoisotopic Mass580.17333
SMILESCC(=O)C1C(C)=CC(=O)c2c1c(-c1c3c(c(O)c4c(O)cccc14)C(=O)CC(C)(O)C3C(C)=O)c1cccc(O)c1c2O
InChIInChI=1S/C34H28O9/c1-13-11-20(39)27-29(22(13)14(2)35)25(16-7-5-9-18(37)23(16)32(27)41)26-17-8-6-10-19(38)24(17)33(42)28-21(40)12-34(4,43)31(15(3)36)30(26)28/h5-11,22,31,37-38,41-43H,12H2,1-4H3
InChIKeyBIEJOJJMQZEKED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (721705)
ChEBI Ontology
Outgoing Relation(s)
Setomimycin (CHEBI:223714) is a lignan (CHEBI:25036)
IUPAC Name 
4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
Manual XrefsDatabases
171828ChemSpider