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CHEBI:210635 - (1S)-1-[(2S,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6R,7R,9S)-3,7-dimethoxy-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-methoxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one

ChEBI IDCHEBI:210635
ChEBI Name(1S)-1-[(2S,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6R,7R,9S)-3,7-dimethoxy-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-methoxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H86O17
Net Charge0
Average Mass959.221
Monoisotopic Mass958.58650
SMILESCO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@H]([C@H]3CC[C@H]([C@@H]4CC[C@H]([C@@]5(C)O[C@]6(O[C@H](C[C@@H]7O[C@](O)([C@@H](O)C(C)=O)[C@@H](C)[C@H](OC)[C@@]7(C)OC)C[C@@H](OC)[C@H]6C)[C@H](C)[C@H]5OC)O4)O3)O[C@](C)(OC)[C@@H]2C)O[C@@H]1C
InChIInChI=1S/C50H86O17/c1-25-41(63-40-22-20-33(54-11)31(7)60-40)27(3)48(10,59-16)66-42(25)36-18-17-34(61-36)35-19-21-38(62-35)47(9)45(57-14)29(5)50(67-47)26(2)37(55-12)23-32(64-50)24-39-46(8,58-15)44(56-13)28(4)49(53,65-39)43(52)30(6)51/h25-29,31-45,52-53H,17-24H2,1-16H3/t25-,26+,27+,28-,29+,31+,32-,33-,34+,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45+,46-,47+,48-,49-,50-/m0/s1
InChIKeyIVCMUCAHMFWZTM-QPLMXPRDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cacaoi (ncbitaxon:1898) - PubMed (31059704)
ChEBI Ontology
Outgoing Relation(s)
(1S)-1-[(2S,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6R,7R,9S)-3,7-dimethoxy-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-methoxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one (CHEBI:210635) is a C-glycosyl compound (CHEBI:20857)
IUPAC Name 
(1S)-1-[(2S,3S,4S,5S,6S)-6-[[(2R,3R,4R,5S,6R,7R,9S)-3,7-dimethoxy-2-[(2R,5S)-5-[(2R,5R)-5-[(2S,3S,4S,5R,6S)-6-methoxy-4-[(2R,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,4,6-trimethyl-1,10-dioxaspiro[4.5]decan-9-yl]methyl]-2-hydroxy-4,5-dimethoxy-3,5-dimethyloxan-2-yl]-1-hydroxypropan-2-one
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