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CHEBI:222938 - Trestatin B

ChEBI IDCHEBI:222938
ChEBI NameTrestatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H63NO28
Net Charge0
Average Mass969.890
Monoisotopic Mass969.35366
SMILESC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@H](O)[C@H](O)[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)O[C@@H]4CO)O[C@@H]3CO)O[C@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1N[C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C37H63NO28/c1-8-15(38-10-2-9(3-39)16(44)20(48)17(10)45)19(47)25(53)33(58-8)63-30-12(5-41)60-34(27(55)22(30)50)64-31-13(6-42)61-35(28(56)23(31)51)65-32-14(7-43)62-37(29(57)24(32)52)66-36-26(54)21(49)18(46)11(4-40)59-36/h2,8,10-57H,3-7H2,1H3/t8-,10-,11-,12+,13-,14-,15-,16-,17-,18+,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-/m1/s1
InChIKeyWEDWQCPYKKZMDF-IYBOJALSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6605334)
ChEBI Ontology
Outgoing Relation(s)
Trestatin B (CHEBI:222938) is a amino cyclitol (CHEBI:61689)
Trestatin B (CHEBI:222938) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4R,5R,6S)-5-[(2R,3S,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(1R,4R,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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