Chem
J-GLOBAL ID：200907096466184125   Nikkaji number：J2.407.612A

[3-O-(3,4-Dihydroxycinnamoyl)-1,7-anhydro-α-D-glycero-D-galacto-heptopyranose-1-yl]formic acid

[3-O-(3,4-ジヒドロキシシンナモイル)-1,7-アンヒドロ-α-D-glycero-D-galacto-ヘプトピラノース-1-イル]ぎ酸
Substance type：
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
Molecular formula： C17H18O11
Molecular formula furigana： C17-H18-O11
Molecular weight： 398.320
InChI： InChI=1S/C17H18O11/c18-8-3-1-7(5-9(8)19)2-4-11(21)27-14-12(22)13-10(20)6-26-17(28-13,15(14)23)16(24)25/h1-5,10,12-15,18-20,22-23H,6H2,(H,24,25)/b4-2+/t10-,12+,13-,14+,15-,17-/m1/s1
InChI key： DCVYAOPGEJKMKX-HMERZNFVSA-N
SMILES： O[C@@H]1CO[C@]2(O[C@H]1[C@H](O)[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@H]2O)C(=O)O
Systematic name  (3)：
  • [3-O-(3,4-ジヒドロキシシンナモイル)-1,7-アンヒドロ-α-D-glycero-D-galacto-ヘプトピラノース-1-イル]ぎ酸
  • (1R,4R,5R,6S,7S,8R)-7-{[(2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-4,6,8-トリヒドロキシ-2,9-ジオキサビシクロ[3.3.1]ノナン-1-カルボン酸
  • (1R,4R,5R,6S,7S,8R)-7-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,6,8-trihydroxy-2,9-dioxabicyclo[3.3.1]nonane-1-carboxylic acid
Other name (1)：
  • [3-O-(3,4-Dihydroxycinnamoyl)-1,7-anhydro-α-D-glycero-D-galacto-heptopyranose-1-yl]formic acid
Thsaurus map：
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