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CHEBI:203809 - Lomaiviticin A

ChEBI IDCHEBI:203809
ChEBI NameLomaiviticin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC68H80N6O24
Net Charge0
Average Mass1365.406
Monoisotopic Mass1364.52240
SMILESCC[C@@]1(OC2CC(OC)C(O)C(C)O2)[C@H](OC2CC(O)C(N(C)C)C(C)O2)c2c(c3c(O)c4c(=O)ccc(=O)c4c(O)c3c2=[N+]=[N-])C(=O)[C@@H]1[C@H]1C(=O)c2c(c(=[N+]=[N-])c3c(O)c4c(=O)ccc(=O)c4c(O)c23)[C@@H](O[C@H]2CC(O)[C@H](N(C)C)C(C)O2)[C@@]1(CC)OC1CC(OC)C(O)C(C)O1
InChIInChI=1S/C68H80N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-18,23-26,31-38,51-52,55-58,65-66,79-86H,13-14,19-22H2,1-12H3/t23?,24?,25?,26?,31?,32?,33?,34?,35-,36?,37?,38?,51-,52-,55+,56?,57?,58?,65+,66+,67-,68-/m0/s1
InChIKeyIGTJAVXLXLMFRG-JGBUZTLDSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (11457405)
ChEBI Ontology
Outgoing Relation(s)
Lomaiviticin A (CHEBI:203809) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1R,2S,3R)-11-diazo-3-[(1R,2S,3R)-11-diazo-1-[(2S,5S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5,10-dihydroxy-2-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6,9-trioxo-1,3-dihydrobenzo[b]luoren-3-yl]-1-[5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-5,10-dihydroxy-2-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-1,3-dihydrobenzo[b]luorene-4,6,9-trione
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