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CHEBI:203887 - Saptomycin E

ChEBI IDCHEBI:203887
ChEBI NameSaptomycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H35NO9
Net Charge0
Average Mass589.641
Monoisotopic Mass589.23118
SMILESCC(=O)OC1C(C)OC(c2ccc3c(c2O)C(=O)c2c(cc(C)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)CC1(C)N(C)C
InChIInChI=1S/C33H35NO9/c1-14-11-20-26(30-24(14)21(36)12-23(42-30)33(6)16(3)43-33)29(39)25-19(27(20)37)10-9-18(28(25)38)22-13-32(5,34(7)8)31(15(2)40-22)41-17(4)35/h9-12,15-16,22,31,38H,13H2,1-8H3
InChIKeyDLWNUUQBCVPEHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8244880)
ChEBI Ontology
Outgoing Relation(s)
Saptomycin E (CHEBI:203887) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[4-(dimethylamino)-6-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-2,4-dimethyloxan-3-yl] acetate
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2299858ChemSpider