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(1R,2R)-1,2,8-trihydroxy-9-keto-2H-xanthene-1-carboxylic acid methyl ester
SpectraBase Compound ID 4MevLBH0oiu
InChI InChI=1S/C15H12O7/c1-21-14(19)15(20)10(17)6-5-9-12(15)13(18)11-7(16)3-2-4-8(11)22-9/h2-6,10,16-17,20H,1H3/t10-,15+/m1/s1
InChIKey HEFOWMGZUBJFBY-BMIGLBTASA-N
Mol Weight 304.25 g/mol
Molecular Formula C15H12O7
Exact Mass 304.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ck86BKJPtAr
Name (1R,2R)-1,2,8-trihydroxy-9-keto-2H-xanthene-1-carboxylic acid methyl ester
Alternate Name(s) (1R,2R)-1,2,8-trihydroxy-9-oxo-2H-xanthene-1-carboxylic acid methyl ester Methyl (1R,2R)-1,2,8-trihydroxy-9-oxo-2H-xanthene-1-carboxylate Methyl (1R,2R)-1,2,8-tris(oxidanyl)-9-oxidanylidene-2H-xanthene-1-carboxylate
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Formula C15H12O7
InChI InChI=1S/C15H12O7/c1-21-14(19)15(20)10(17)6-5-9-12(15)13(18)11-7(16)3-2-4-8(11)22-9/h2-6,10,16-17,20H,1H3/t10-,15+/m1/s1
InChIKey HEFOWMGZUBJFBY-BMIGLBTASA-N
Molecular Weight 304.254 g/mol
SMILES O[C@@]1(C=CC=2Oc3cccc(c3C(C2[C@@]1(C(=O)OC)O)=O)O)[H]
SPLASH splash10-002b-1091000000-323dea71e02b875b7421
Source of Spectrum K1-2007-295-1
Wiley ID 1639033