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CHEBI:198062 - Yokonolide A

ChEBI IDCHEBI:198062
ChEBI NameYokonolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H83NO14
Net Charge0
Average Mass886.174
Monoisotopic Mass885.58136
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](C[C@H](C)CO)[C@@H](O)C[C@H](O2)[C@H]3C)O1
InChIInChI=1S/C47H83NO14/c1-10-33(50)22-34-17-14-19-47(61-34)25-38-29(4)37(62-47)23-35(51)32(21-27(2)26-49)16-13-11-12-15-28(3)42(54)44(60-40-24-36(52)41(48(8)9)31(6)58-40)43(55)30(5)45(56)46(7,57)20-18-39(53)59-38/h13,16,18,20,27-38,40-45,49-52,54-57H,10-12,14-15,17,19,21-26H2,1-9H3/b16-13+,20-18+/t27-,28-,29+,30+,31-,32+,33+,34+,35-,36-,37-,38-,40-,41+,42-,43+,44+,45-,46+,47+/m0/s1
InChIKeyFDTRCZDJIYMYRH-KZTVNNGNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11560376)
ChEBI Ontology
Outgoing Relation(s)
Yokonolide A (CHEBI:198062) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,4E,6R,6'R,7S,8R,9R,10R,11S,12S,16E,18S,19S,21S,23R,25R)-10-[(2S,4S,5S,6S)-5-(dimethylamino)-4-hydroxy-6-methyloxan-2-yl]oxy-6,7,9,11,19-pentahydroxy-6'-[(2R)-2-hydroxybutyl]-18-[(2S)-3-hydroxy-2-methylpropyl]-6,8,12,25-tetramethylspiro[2,22-dioxabicyclo[19.3.1]pentacosa-4,16-diene-23,2'-oxane]-3-one
Manual XrefsDatabases
78439574ChemSpider