Chem
J-GLOBAL ID：201507056925677461
Nikkaji number：J3.360.126C
2-O,3-O-[(4,4′,5,5′,6,6′-Hexahydroxybiphenyl-2,2′-diyl)bis(carbonyl)]-4-O,6-O-[carbonyl(2-oxo-6-carboxy-2H-pyran-4,3-diyl)(4,5,6-trihydroxy-o-phenylene)carbonyl]-D-glucopyranose
2-O,3-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル)ビス(カルボニル)]-4-O,6-O-[カルボニル(2-オキソ-6-カルボキシ-2H-ピラン-4,3-ジイル)(4,5,6-トリヒドロキシ-o-フェニレン)カルボニル]-D-グルコピラノース
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C34H22O23
Molecular formula furigana： C34-H22-O23
Molecular weight： 798.527
InChI：
InChI=1S/C34H22O23/c35-10-1-6-17(24(43)21(10)40)18-9(4-13(28(44)45)53-33(18)50)32(49)55-25-14(5-52-29(6)46)54-34(51)27-26(25)56-30(47)7-2-11(36)19(38)22(41)15(7)16-8(31(48)57-27)3-12(37)20(39)23(16)42/h1-4,14,25-27,34-43,51H,5H2,(H,44,45)/t14-,25-,26+,27-,34?/m1/s1
InChI key：
ZZMPVMJDVAXZNQ-FABVRVAOSA-N
SMILES：
OC1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3c3c(cc(oc3=O)C(=O)O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3C(=O)O[C@@H]12
Systematic name (1)：
- 2-O,3-O-[(4,4′,5,5′,6,6′-ヘキサヒドロキシビフェニル-2,2′-ジイル)ビス(カルボニル)]-4-O,6-O-[カルボニル(2-オキソ-6-カルボキシ-2H-ピラン-4,3-ジイル)(4,5,6-トリヒドロキシ-o-フェニレン)カルボニル]-D-グルコピラノース
- 2-O,3-O-[(4,4′,5,5′,6,6′-Hexahydroxybiphenyl-2,2′-diyl)bis(carbonyl)]-4-O,6-O-[carbonyl(2-oxo-6-carboxy-2H-pyran-4,3-diyl)(4,5,6-trihydroxy-o-phenylene)carbonyl]-D-glucopyranose
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