Chem
J-GLOBAL ID：201907005313674281
Nikkaji number：J3.734.473G
2-{2,6-ジヒドロキシ-4-[3-(4-ヒドロキシベンズアミド)アゼパン-1-カルボニル]ベンゾイル}-3-ヒドロキシ安息香酸
2-{2,6-ジヒドロキシ-4-[3-(4-ヒドロキシベンズアミド)アゼパン-1-カルボニル]ベンゾイル}-3-ヒドロキシ安息香酸
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： C28H26N2O9
Molecular formula furigana： C28-H26-N2-O9
Molecular weight： 534.521
InChI：
InChI=1S/C28H26N2O9/c31-18-9-7-15(8-10-18)26(36)29-17-4-1-2-11-30(14-17)27(37)16-12-21(33)24(22(34)13-16)25(35)23-19(28(38)39)5-3-6-20(23)32/h3,5-10,12-13,17,31-34H,1-2,4,11,14H2,(H,29,36)(H,38,39)
InChI key：
SFGLJQOSDOXHSN-UHFFFAOYSA-N
SMILES：
c1(C(=O)O)c(c(ccc1)O)C(=O)c1c(cc(cc1O)C(=O)N1CC(CCCC1)NC(=O)c1ccc(cc1)O)O
Systematic name (3)：
- 3-ヒドロキシ-2-[2,6-ジヒドロキシ-4-[[3-(4-ヒドロキシベンゾイルアミノ)アゼパン-1-イル]カルボニル]ベンゾイル]安息香酸
- 2-{2,6-ジヒドロキシ-4-[3-(4-ヒドロキシベンズアミド)アゼパン-1-カルボニル]ベンゾイル}-3-ヒドロキシ安息香酸
- 2-{2,6-dihydroxy-4-[3-(4-hydroxybenzamido)azepane-1-carbonyl]benzoyl}-3-hydroxybenzoic acid
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