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CHEBI:203409 - Shengjimycin B2alpha

ChEBI IDCHEBI:203409
ChEBI NameShengjimycin B2alpha
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H82N2O16
Net Charge0
Average Mass955.193
Monoisotopic Mass954.56643
SMILESCCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(OC4CCC(N(C)C)C(C)O4)/C=C\C=C/CC(C)OC(=O)CC(OC(C)=O)C3OC)C(O)C2N(C)C)CC1(C)O
InChIInChI=1S/C49H82N2O16/c1-14-18-38(54)65-47-32(6)61-41(27-49(47,8)57)66-44-31(5)62-48(43(56)42(44)51(11)12)67-45-34(23-24-52)25-28(2)36(64-40-22-21-35(50(9)10)30(4)60-40)20-17-15-16-19-29(3)59-39(55)26-37(46(45)58-13)63-33(7)53/h15-17,20,24,28-32,34-37,40-48,56-57H,14,18-19,21-23,25-27H2,1-13H3/b16-15-,20-17-
InChIKeyFJNJQYYEDQVPSJ-WFLLNITGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.3209/saj.13_120)
ChEBI Ontology
Outgoing Relation(s)
Shengjimycin B2alpha (CHEBI:203409) 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] butanoate
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