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CHEBI:216200 - C-1027 chromophore III

ChEBI IDCHEBI:216200
ChEBI NameC-1027 chromophore III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H44ClN3O13
Net Charge0
Average Mass846.286
Monoisotopic Mass845.25627
SMILESC=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H](N)c4cc(O)c(c(Cl)c4)O[C@@H]4c5ccc3cc5C3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H](N(C)C)[C@H](O)C3O)c2NC1=O
InChIInChI=1S/C43H44ClN3O13/c1-19-39(52)46-33-25(15-22(54-6)16-30(33)56-19)40(53)57-31-18-55-32(49)17-28(45)21-13-27(44)36(29(48)14-21)58-38-23-10-9-20(31)12-24(23)26-8-7-11-43(26,38)60-41-35(51)34(50)37(47(4)5)42(2,3)59-41/h7-16,28,31,34-35,37-38,41,48,50-51H,1,17-18,45H2,2-6H3,(H,46,52)/t28-,31-,34+,35?,37-,38+,41-,43+/m0/s1
InChIKeySAWXMTQYIIZWNU-HUOJNRNKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces globisporus C-1027 (ncbitaxon:1172567) - PubMed (10395278)
ChEBI Ontology
Outgoing Relation(s)
C-1027 chromophore III (CHEBI:216200) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
[(3R,4R,14R,19S)-19-amino-22-chloro-4-[(2S,4S,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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