EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204255 - Saccharothrixone A

ChEBI IDCHEBI:204255
ChEBI NameSaccharothrixone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O11
Net Charge0
Average Mass474.418
Monoisotopic Mass474.11621
SMILESCOC(=O)c1c(OC)cc2cc3c(c(O)c2c1C)C(=O)O[C@@H]3[C@@]1(O)[C@H](O)C(OC)=CC(=O)[C@@H]1O
InChIInChI=1S/C23H22O11/c1-8-14-9(6-12(31-2)15(8)21(28)33-4)5-10-16(17(14)25)22(29)34-20(10)23(30)18(26)11(24)7-13(32-3)19(23)27/h5-7,18-20,25-27,30H,1-4H3/t18-,19+,20-,23-/m0/s1
InChIKeySSGAWPSGWGGBIW-SRYPRDQNSA-N
Species of MetaboliteComponentSourceComments
Saccharothrixspecies 10-10 (ncbitaxon:1163266) - PubMed (26317881)
ChEBI Ontology
Outgoing Relation(s)
Saccharothrixone A (CHEBI:204255) is a naphthofuran (CHEBI:39270)
IUPAC Name 
methyl (1S)-4-hydroxy-7-methoxy-5-methyl-3-oxo-1-[(1R,2S,6R)-1,2,6-trihydroxy-3-methoxy-5-oxocyclohex-3-en-1-yl]-1H-benzo[][2]benzouran-6-carboxylate
Manual XrefsDatabases
40256561ChemSpider