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(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid methyl ester
SpectraBase Compound ID CcGQBUH8QH1
InChI InChI=1S/C16H16O10/c1-23-15(22)14-12(20)11(19)13(21)16(26-14)25-6-4-8(18)10-7(17)2-3-24-9(10)5-6/h2-5,11-14,16,18-21H,1H3/t11-,12-,13+,14-,16+/m0/s1
InChIKey LUFIRKFEARIODP-JHZZJYKESA-N
Mol Weight 368.29 g/mol
Molecular Formula C16H16O10
Exact Mass 368.074347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Az99NOcAPSs
Name (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-chromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid methyl ester
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Formula C16H16O10
InChI InChI=1S/C16H16O10/c1-23-15(22)14-12(20)11(19)13(21)16(26-14)25-6-4-8(18)10-7(17)2-3-24-9(10)5-6/h2-5,11-14,16,18-21H,1H3/t11-,12-,13+,14-,16+/m0/s1
InChIKey LUFIRKFEARIODP-JHZZJYKESA-N
Molecular Weight 368.294 g/mol
SMILES Oc1c2C(C=COc2cc(O[C@]2([C@@]([C@]([C@@]([C@](O2)(C(=O)OC)[H])(O)[H])(O)[H])(O)[H])[H])c1)=O
SPLASH splash10-004i-0901000000-9cf3d46e27339826e858
Source of Spectrum E1-40-2039-6
Synonyms (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-hydroxy-4-oxo-1-benzopyran-7-yl)oxy]-2-oxanecarboxylic acid methyl ester Methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-carboxylate Methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxochromen-7-yl)oxyoxane-2-carboxylate Methyl (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-(5-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-oxane-2-carboxylate
Wiley ID 1519603