CHEBI:211397 - A83543D

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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 A83543D
ChEBI ID CHEBI:211397
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C42H67NO10
Net Charge 0
Average Mass 745.995
Monoisotopic Mass 745.47650
InChI InChI=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
InChIKey OJAJNPUYPONDBD-PSCJHHPTSA-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)C
Metabolite of Species Details
Saccharopolysporaspecies (NCBI:txid33915) See: DOI
ChEBI Ontology
Outgoing 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 Xref Database
78441495 ChemSpider
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