EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198790 - Balmoralmycin

ChEBI IDCHEBI:198790
ChEBI NameBalmoralmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H36O9
Net Charge0
Average Mass600.664
Monoisotopic Mass600.23593
SMILESCCCCC/C=C/C=C/C(=O)O[C@H]1[C@H](O)C[C@H](c2ccc3c(c2O)C(=O)c2c(O)cc4cc(C)cc(O)c4c2C3=O)O[C@@H]1C
InChIInChI=1S/C35H36O9/c1-4-5-6-7-8-9-10-11-27(39)44-35-19(3)43-26(17-25(35)38)21-12-13-22-29(32(21)40)34(42)30-24(37)16-20-14-18(2)15-23(36)28(20)31(30)33(22)41/h8-16,19,25-26,35-38,40H,4-7,17H2,1-3H3/b9-8+,11-10+/t19-,25-,26-,35-/m1/s1
InChIKeyFNKQOTSFCUVWOM-SCYGQDGYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7622429)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Balmoralmycin (CHEBI:198790) is a angucycline (CHEBI:48130)
IUPAC Name 
[(2R,3S,4R,6R)-4-hydroxy-2-methyl-6-(1,6,8-trihydroxy-3-methyl-7,12-dioxobenzo[a]anthracen-9-yl)oxan-3-yl] (2E,4E)-deca-2,4-dienoate
Manual XrefsDatabases
8569239ChemSpider