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CHEBI:208503 - Shengjimycin B2beta

ChEBI IDCHEBI:208503
ChEBI NameShengjimycin B2beta
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SubmitterMetaboLights
DownloadsMolfile
FormulaC49H82N2O16
Net Charge0
Average Mass955.193
Monoisotopic Mass954.56643
SMILESCOC1C(OC(C)=O)CC(=O)OC(C)C/C=C\C=C/C(OC2CCC(N(C)C)C(C)O2)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)C(C)C)C(C)O2)C(N(C)C)C1O
InChIInChI=1S/C49H82N2O16/c1-27(2)47(56)67-46-32(7)61-40(26-49(46,9)57)65-43-31(6)62-48(42(55)41(43)51(12)13)66-44-34(22-23-52)24-28(3)36(64-39-21-20-35(50(10)11)30(5)60-39)19-17-15-16-18-29(4)59-38(54)25-37(45(44)58-14)63-33(8)53/h15-17,19,23,27-32,34-37,39-46,48,55,57H,18,20-22,24-26H2,1-14H3/b16-15-,19-17-
InChIKeyKULCFBWWBNGLHQ-RKXLPSGMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin B2beta (CHEBI:208503) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[6-[6-[[(11Z,13Z)-4-acetyloxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate
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