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Glucose-6-phosphate, 6TMS, 1MEOX
SpectraBase Compound ID F2B0bxeT12C
InChI InChI=1S/C25H64NO9PSi6/c1-28-26-20-22(30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h20,22-25H,21H2,1-19H3/b26-20+/t22-,23+,24+,25+/m0/s1
InChIKey AOTDITUXOFRYQJ-RVKUZKFDSA-N
Mol Weight 722.3 g/mol
Molecular Formula C25H64NO9PSi6
Exact Mass 721.293429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjGI873L1ll
Name Glucose-6-phosphate, 6TMS, 1MEOX
Comments Derivatization type: 6 TMS (mass: 721.293); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib001068; Note: The molecular formula of the structure shown is C6H13O9P - which differs from the formula reported for the mass spectrum (C25H64NO9PSi6)
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Formula C25H64NO9PSi6
InChI InChI=1S/C25H64NO9PSi6/c1-28-26-20-22(30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h20,22-25H,21H2,1-19H3/b26-20+/t22-,23+,24+,25+/m0/s1
InChIKey AOTDITUXOFRYQJ-RVKUZKFDSA-N
Molecular Weight 722.269 g/mol
SMILES [C@@](\C=N\OC)([C@]([C@@]([C@@](COP(O[Si](C)(C)C)(O[Si](C)(C)C)=O)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-000b-1922000000-a5811c1014935e82e274
Source of Spectrum FM-2019-1068-0
Synonyms Aldohexose 6-phosphate, 6TMS, 1MEOX D-Glucose 6-phosphate, 6TMS, 1MEOX 6-O-phosphono-D-glucose, 6TMS, 1MEOX CHEBI:15954, 6TMS, 1MEOX EXPT01538, 6TMS, 1MEOX [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] dihydrogen phosphate, 6TMS, 1MEOX (2R,3R,4R,5S,E)-6-(methoxyimino)-2,3,4,5-tetrakis((trimethylsilyl)oxy)hexyl bis(trimethylsilyl) phosphate
Wiley ID 1818726