EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205025 - Fredericamycin E

ChEBI IDCHEBI:205025
ChEBI NameFredericamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H23NO10
Net Charge0
Average Mass569.522
Monoisotopic Mass569.13220
SMILESC/C=C/C=C/c1cc2cc3c(c(O)c2c(=O)n1)[C@@]1(CC3)C(=O)C(=O)c2c(c(O)c3c(O)c(OC)cc(O)c3c2O)C1=O
InChIInChI=1S/C31H23NO10/c1-3-4-5-6-14-10-13-9-12-7-8-31(22(12)26(37)17(13)30(41)32-14)28(39)21-20(27(38)29(31)40)24(35)18-15(33)11-16(42-2)23(34)19(18)25(21)36/h3-6,9-11,33-37H,7-8H2,1-2H3,(H,32,41)/b4-3+,6-5+/t31-/m1/s1
InChIKeyCBYHZVAGTILQJR-GSIWLMKGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (18232659)
ChEBI Ontology
Outgoing Relation(s)
Fredericamycin E (CHEBI:205025) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(8R)-5',8',9,9',10'-pentahydroxy-6'-methoxy-3-[(1E,3E)-penta-1,3-dienyl]spiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,3'-anthracene]-1,1',2',4'-tetrone
Manual XrefsDatabases
23314707ChemSpider