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CHEBI:224629 - Neopluramycin

ChEBI IDCHEBI:224629
ChEBI NameNeopluramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H50N2O10
Net Charge0
Average Mass730.855
Monoisotopic Mass730.34655
SMILESC/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O
InChIInChI=1S/C41H50N2O10/c1-12-18(2)28-16-27(45)31-19(3)13-25-33(39(31)53-28)38(49)34-32(37(25)48)23(29-15-26(42(8)9)35(46)20(4)50-29)14-24(36(34)47)30-17-41(7,43(10)11)40(21(5)51-30)52-22(6)44/h12-14,16,20-21,26,29-30,35,40,46-47H,15,17H2,1-11H3/b18-12+/t20-,21+,26-,29-,30-,35-,40-,41+/m1/s1
InChIKeyFGTVZROOHPSJNZ-IFYVSTMCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces pluricolorescens (ncbitaxon:37480) - PubMed (5460277)
ChEBI Ontology
Outgoing Relation(s)
Neopluramycin (CHEBI:224629) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[(2S,3S,4S,6R)-6-[2-[(E)-but-2-en-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxonaphtho[2,3-h]chromen-10-yl]-4-(dimethylamino)-2,4-dimethyloxan-3-yl] acetate
Manual XrefsDatabases
20145050ChemSpider