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CHEBI:211397 - A83543D

ChEBI IDCHEBI:211397
ChEBI NameA83543D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67NO10
Net Charge0
Average Mass745.995
Monoisotopic Mass745.47650
SMILESCCN[C@H]1CC[C@H](O[C@H]2CCC[C@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@H]3C=C(C)[C@@H]3C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]43)C(=O)[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C42H67NO10/c1-10-26-13-12-14-35(53-37-16-15-34(43-11-2)24(5)49-37)23(4)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(3)28-18-27(19-30(28)31)52-42-41(48-9)40(47-8)39(46-7)25(6)50-42/h17,20,23-32,34-35,37,39-43H,10-16,18-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1
InChIKeyOJAJNPUYPONDBD-PSCJHHPTSA-N
Species of MetaboliteComponentSourceComments
Saccharopolysporaspecies (ncbitaxon:33915) - DOI (10.1016/s0040-4039(00)93474-9)
ChEBI Ontology
Outgoing Relation(s)
A83543D (CHEBI:211397) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-15-[(2R,5S,6R)-5-(ethylamino)-6-methyloxan-2-yl]oxy-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
Manual XrefsDatabases
78441495ChemSpider