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CHEBI:202657 - Saptomycin B

ChEBI IDCHEBI:202657
ChEBI NameSaptomycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC41H52N2O9
Net Charge0
Average Mass716.872
Monoisotopic Mass716.36728
SMILESCC=CCC(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c(C2CC(C)(N(C)C)C(O)C(C)O2)cc(C2CC(N(C)C)C(O)C(C)O2)c1C3=O
InChIInChI=1S/C41H52N2O9/c1-11-12-13-19(2)28-17-27(44)31-20(3)14-25-33(39(31)52-28)38(48)34-32(37(25)47)23(29-16-26(42(7)8)35(45)21(4)50-29)15-24(36(34)46)30-18-41(6,43(9)10)40(49)22(5)51-30/h11-12,14-15,17,19,21-22,26,29-30,35,40,45-46,49H,13,16,18H2,1-10H3
InChIKeyVWFVFHNESZVLJB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8244880)
ChEBI Ontology
Outgoing Relation(s)
Saptomycin B (CHEBI:202657) is a anthraquinone (CHEBI:22580)
IUPAC Name 
10-[4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-2-hex-4-en-2-yl-11-hydroxy-5-methylnaphtho[2,3-h]chromene-4,7,12-trione