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CHEBI:223462 - Sulfurmycin B

ChEBI IDCHEBI:223462
ChEBI NameSulfurmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H51NO16
Net Charge0
Average Mass837.872
Monoisotopic Mass837.32078
SMILESCOC(=O)C1c2cc3c(c(O)c2C(OC2CC(N(C)C)C(OC4CC5OC6CC(=O)C(C)OC6OC5C(C)O4)C(C)O2)CC1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C43H51NO16/c1-17(45)15-43(52)16-29(33-22(35(43)41(51)53-7)11-23-34(38(33)50)37(49)32-21(36(23)48)9-8-10-25(32)46)58-30-12-24(44(5)6)39(19(3)54-30)59-31-14-27-40(20(4)55-31)60-42-28(57-27)13-26(47)18(2)56-42/h8-11,18-20,24,27-31,35,39-40,42,46,50,52H,12-16H2,1-7H3
InChIKeyDONDQYGRHMLYMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6944302)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Sulfurmycin B (CHEBI:223462) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78444919ChemSpider