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CHEBI:199504 - C-1027 chromophore-V

ChEBI IDCHEBI:199504
ChEBI NameC-1027 chromophore-V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H43Cl2N3O13
Net Charge0
Average Mass880.731
Monoisotopic Mass879.21729
SMILESC=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4c5ccc3c(Cl)c5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]3O)c2NC1=O
InChIInChI=1S/C43H43Cl2N3O13/c1-18-39(53)47-33-23(14-20(55-6)15-28(33)57-18)40(54)58-29-17-56-30(50)16-26(46)19-12-25(44)36(27(49)13-19)59-38-22-10-9-21(29)32(45)31(22)24-8-7-11-43(24,38)61-41-35(52)34(51)37(48(4)5)42(2,3)60-41/h7-15,26,29,34-35,37-38,41,49,51-52H,1,16-17,46H2,2-6H3,(H,47,53)/t26-,29-,34-,35+,37-,38+,41-,43+/m0/s1
InChIKeyLGXLUMUDRRLAQZ-KPASYSSUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (24796308)
ChEBI Ontology
Outgoing Relation(s)
C-1027 chromophore-V (CHEBI:199504) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[(3R,4R,14R,19S)-19-amino-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-23-hydroxy-17-oxo-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-14-yl] 7-methoxy-2-methylidene-3-oxo-4H-1,4-benzoxazine-5-carboxylate
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34451990ChemSpider