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1-HYDROXY-2,3,7-TRIMETHOXYXANTHONE-5-SULFATE
SpectraBase Compound ID 8V35OPALXb8
InChI InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)
InChIKey PPWIGABBZKSQJC-UHFFFAOYSA-N
Mol Weight 398.34 g/mol
Molecular Formula C16H14O10S
Exact Mass 398.030768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATTRMOKMqje
Name 1-Hydroxy-2,3,7-trimethoxyxanthone-5-O-Sulfate
Alternate Name(s) sulfuric acid (8-hydroxy-2,6,7-trimethoxy-9-oxo-4-xanthenyl) ester (8-hydroxy-2,6,7-trimethoxy-9-oxoxanthen-4-yl) hydrogen sulfate (8-hydroxy-2,6,7-trimethoxy-9-oxo-xanthen-4-yl) hydrogen sulfate (2,6,7-trimethoxy-8-oxidanyl-9-oxidanylidene-xanthen-4-yl) hydrogen sulfate
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Formula C16H14O10S
InChI InChI=1S/C16H14O10S/c1-22-7-4-8-13(17)12-9(6-10(23-2)16(24-3)14(12)18)25-15(8)11(5-7)26-27(19,20)21/h4-6,18H,1-3H3,(H,19,20,21)
InChIKey PPWIGABBZKSQJC-UHFFFAOYSA-N
Molecular Weight 398.338 g/mol
SMILES Oc1c2c(Oc3c(OS(=O)(=O)O)cc(cc3C2=O)OC)cc(c1OC)OC
SPLASH splash10-014i-0019000000-6330b79927d13e0f682f
Source of Spectrum G4-69-813-4
Wiley ID 1694316