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CHEBI:204852 - A83543C

ChEBI IDCHEBI:204852
ChEBI NameA83543C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H61NO10
Net Charge0
Average Mass703.914
Monoisotopic Mass703.42955
SMILESCC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1
InChIInChI=1S/C39H61NO10/c1-8-24-10-9-11-32(50-34-15-14-31(40)21(3)46-34)20(2)35(42)30-18-28-26(29(30)19-33(41)48-24)13-12-23-16-25(17-27(23)28)49-39-38(45-7)37(44-6)36(43-5)22(4)47-39/h12-13,18,20-29,31-32,34,36-39H,8-11,14-17,19,40H2,1-7H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,31+,32+,34+,36+,37-,38-,39+/m1/s1
InChIKeyUCIKDXWOTCSOTN-PNXRJMMDSA-N
Species of MetaboliteComponentSourceComments
Saccharopolysporaspecies (ncbitaxon:33915) - DOI (10.1016/s0040-4039(00)93474-9)
ChEBI Ontology
Outgoing Relation(s)
A83543C (CHEBI:204852) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-amino-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-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
78441027ChemSpider