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1-HYDROXY-2,3-DIMETHOXYXANTHONE-5-SULFATE
SpectraBase Compound ID GamIRjtnb07
InChI InChI=1S/C15H12O9S/c1-21-10-6-9-11(13(17)15(10)22-2)12(16)7-4-3-5-8(14(7)23-9)24-25(18,19)20/h3-6,17H,1-2H3,(H,18,19,20)
InChIKey LGTKFNVJRQOFOQ-UHFFFAOYSA-N
Mol Weight 368.31 g/mol
Molecular Formula C15H12O9S
Exact Mass 368.020203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WaEgKbWNLd
Name 1-Hydroxy-2,3-dimethoxyxanthone-5-O-Sulfate
Alternate Name(s) sulfuric acid (8-hydroxy-6,7-dimethoxy-9-oxo-4-xanthenyl) ester (8-hydroxy-6,7-dimethoxy-9-oxoxanthen-4-yl) hydrogen sulfate (8-hydroxy-6,7-dimethoxy-9-oxo-xanthen-4-yl) hydrogen sulfate (6,7-dimethoxy-8-oxidanyl-9-oxidanylidene-xanthen-4-yl) hydrogen sulfate
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Formula C15H12O9S
InChI InChI=1S/C15H12O9S/c1-21-10-6-9-11(13(17)15(10)22-2)12(16)7-4-3-5-8(14(7)23-9)24-25(18,19)20/h3-6,17H,1-2H3,(H,18,19,20)
InChIKey LGTKFNVJRQOFOQ-UHFFFAOYSA-N
Molecular Weight 368.312 g/mol
SMILES Oc1c2c(Oc3c(OS(=O)(=O)O)cccc3C2=O)cc(c1OC)OC
SPLASH splash10-00di-0090000000-c3a9465437fce7ba1128
Source of Spectrum G4-69-813-3
Wiley ID 1694317