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CHEBI:216549 - A82548A

ChEBI IDCHEBI:216549
ChEBI NameA82548A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H81NO14
Net Charge0
Average Mass884.158
Monoisotopic Mass883.56571
SMILESCC[C@@H](O)C[C@H]1CCC[C@@]2(C[C@@H]3OC(=O)/C=C/[C@@](C)(O)[C@@H](O)[C@H](C)[C@@H](O)[C@H](O[C@H]4C[C@H](O)[C@H](N(C)C)[C@H](C)O4)[C@@H](O)[C@@H](C)CCC/C=C/[C@@H]4C[C@H](C)C(O)O[C@H]4C[C@H](O2)[C@H]3C)O1
InChIInChI=1S/C47H81NO14/c1-10-32(49)22-33-17-14-19-47(61-33)25-37-28(4)35(62-47)24-36-31(21-27(3)45(55)59-36)16-13-11-12-15-26(2)41(52)43(60-39-23-34(50)40(48(8)9)30(6)57-39)42(53)29(5)44(54)46(7,56)20-18-38(51)58-37/h13,16,18,20,26-37,39-45,49-50,52-56H,10-12,14-15,17,19,21-25H2,1-9H3/b16-13+,20-18+/t26-,27-,28+,29+,30-,31+,32+,33+,34-,35-,36-,37-,39-,40+,41-,42+,43+,44-,45?,46+,47+/m0/s1
InChIKeyLFLPRACEAAMLQA-UFCNTBQMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces diastatochromogenes (ncbitaxon:42236) - PubMed (7592067)
ChEBI Ontology
Outgoing Relation(s)
A82548A (CHEBI:216549) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,3S,6S,6'R,8S,9E,14S,15S,16R,17R,18R,19S,20R,21E,25S,27R,29R)-16-[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-5,15,17,19,20-pentahydroxy-6'-[(2R)-2-hydroxybutyl]-6,14,18,20,29-pentamethylspiro[4,24,28-trioxatricyclo[23.3.1.03,8]nonacosa-9,21-diene-27,2'-oxane]-23-one
Manual XrefsDatabases
8828607ChemSpider