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CHEBI:200319 - C-1027 chromophore II

ChEBI IDCHEBI:200319
ChEBI NameC-1027 chromophore II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H44ClN3O13
Net Charge0
Average Mass846.286
Monoisotopic Mass845.25627
SMILESCOc1cc2c(c(C(=O)OC3COC(=O)CC(N)c4cc(O)c(c(Cl)c4)OC4C#CC=C3C#CC3=CC=CC34O[C@@H]3OC(C)(C)[C@@H](N(C)C)C(O)C3O)c1)NC(=O)C(C)O2
InChIInChI=1S/C43H44ClN3O13/c1-21-39(52)46-34-26(17-25(54-6)18-30(34)56-21)40(53)57-31-20-55-33(49)19-28(45)23-15-27(44)37(29(48)16-23)58-32-11-7-9-22(31)12-13-24-10-8-14-43(24,32)60-41-36(51)35(50)38(47(4)5)42(2,3)59-41/h8-10,14-18,21,28,31-32,35-36,38,41,48,50-51H,19-20,45H2,1-6H3,(H,46,52)/t21?,28?,31?,32?,35?,36?,38-,41-,43?/m0/s1
InChIKeyDSJNFFDHWUEBQM-KDUGLPQFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus C-1027 (ncbitaxon:1172567) - PubMed (10395278)
ChEBI Ontology
Outgoing Relation(s)
C-1027 chromophore II (CHEBI:200319) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[7-amino-4-chloro-20-[(2S,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-25-hydroxy-9-oxo-2,10-dioxatetracyclo[11.7.3.23,6.016,20]pentacosa-3(25),4,6(24),13(23),16,18-hexaen-14,21-diyn-12-yl] 7-methoxy-2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylate