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CHEBI:221234 - Sporeamicin B

ChEBI IDCHEBI:221234
ChEBI NameSporeamicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H61NO12
Net Charge0
Average Mass699.879
Monoisotopic Mass699.41938
SMILESCC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(O)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)C2=C(C)C(=O)[C@@]1(C)O2
InChIInChI=1S/C36H61NO12/c1-13-24-36(10)29(39)19(4)27(49-36)17(2)15-35(9,43)31(48-33-26(38)23(37(11)12)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,42)30(40)22(7)45-25/h17-18,20-26,28,30-31,33,38,40,42-43H,13-16H2,1-12H3/t17-,18-,20-,21-,22+,23+,24+,25+,26-,28-,30+,31-,33+,34-,35+,36+/m1/s1
InChIKeyCOGYQPKBENVFFL-VINGPLFOSA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora (ncbitaxon:1835) - PubMed (1624386)
ChEBI Ontology
Outgoing Relation(s)
Sporeamicin B (CHEBI:221234) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(1S,2S,5R,6R,7R,8R,9S,11R)-6-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione