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CHEBI:216723 - (2S,3R,4S,5S,6S)-6-[(2R,5R)-5-[(2S,5R)-5-[(2R,3R,4R,5S,6S,7S,9S)-9-[(1R,3S)-1-hydroxy-2,3-dimethoxy-2-methylbutyl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,3,5-trimethyloxane-2,4-diol

ChEBI IDCHEBI:216723
ChEBI Name(2S,3R,4S,5S,6S)-6-[(2R,5R)-5-[(2S,5R)-5-[(2R,3R,4R,5S,6S,7S,9S)-9-[(1R,3S)-1-hydroxy-2,3-dimethoxy-2-methylbutyl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,3,5-trimethyloxane-2,4-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H64O12
Net Charge0
Average Mass688.896
Monoisotopic Mass688.43978
SMILESCO[C@H]1C[C@@H]([C@@H](O)C(C)(OC)[C@H](C)OC)O[C@]2(O[C@](C)([C@H]3CC[C@@H]([C@H]4CC[C@H]([C@H]5O[C@](C)(O)[C@H](C)[C@@H](O)[C@@H]5C)O4)O3)[C@H](OC)[C@H]2C)[C@H]1C
InChIInChI=1S/C36H64O12/c1-18-29(37)20(3)35(8,39)47-30(18)25-14-13-23(44-25)24-15-16-28(45-24)34(7)32(42-11)21(4)36(48-34)19(2)26(41-10)17-27(46-36)31(38)33(6,43-12)22(5)40-9/h18-32,37-39H,13-17H2,1-12H3/t18-,19-,20+,21+,22-,23+,24-,25+,26-,27-,28+,29-,30-,31+,32+,33?,34+,35-,36-/m0/s1
InChIKeyHRLMVMVJBWJIGC-SPGZVJOMSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies H668 (ncbitaxon:585200) - PubMed (19865468)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4S,5S,6S)-6-[(2R,5R)-5-[(2S,5R)-5-[(2R,3R,4R,5S,6S,7S,9S)-9-[(1R,3S)-1-hydroxy-2,3-dimethoxy-2-methylbutyl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,3,5-trimethyloxane-2,4-diol (CHEBI:216723) is a ketal (CHEBI:59777)
IUPAC Name 
(2S,3R,4S,5S,6S)-6-[(2R,5R)-5-[(2S,5R)-5-[(2R,3R,4R,5S,6S,7S,9S)-9-[(1R,3S)-1-hydroxy-2,3-dimethoxy-2-methylbutyl]-3,7-dimethoxy-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,3,5-trimethyloxane-2,4-diol
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