CHEBI:223535 - A83543A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name A83543A
ChEBI ID CHEBI:223535
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H65NO10
Net Charge 0
Average Mass 731.968
Monoisotopic Mass 731.46085
InChI InChI=1S/C41H65NO10/c1-9-26-12-11-13-34(52-36-17-16-33(42-10-2)23(4)48-36)22(3)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-8)39(46-7)38(45-6)24(5)49-41/h14-15,20,22-31,33-34,36,38-42H,9-13,16-19,21H2,1-8H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1
InChIKey DHCFQHUYZYWKAC-UYQKXTDMSA-N
SMILES O=C1C2=C[C@H]3[C@H]4[C@@H](C[C@H](C4)O[C@@H]5O[C@H]([C@H](OC)[C@H]([C@H]5OC)OC)C)C=C[C@H]3[C@@H]2CC(=O)O[C@@H](CC)CCC[C@@H]([C@H]1C)O[C@@H]6O[C@@H]([C@@H](NCC)CC6)C
Metabolite of Species Details
Saccharopolysporaspecies (NCBI:txid33915) See: DOI
ChEBI Ontology
Outgoing A83543A (CHEBI:223535) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1S,2R,5S,7R,9R,10S,14R,15S,19S)-19-ethyl-15-[(2R,5S,6R)-5-(ethylamino)-6-methyloxan-2-yl]oxy-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 Xref Database
78441209 ChemSpider
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