Chem
J-GLOBAL ID：201207056350611054
Nikkaji number：J3.065.843D
(4aα,8aβ,8bα)-3α,4α-Dihydroxy-6β-carboxy-8-oxodecahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-5aβ-acetic acid
(4aα,8aβ,8bα)-3α,4α-ジヒドロキシ-6β-カルボキシ-8-オキソデカヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-5aβ-酢酸
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： C12H16N2O8
Molecular formula furigana： C12-H16-N2-O8
Molecular weight： 316.266
InChI：
InChI=1S/C12H16N2O8/c15-3-2-13-6-5-10(19)14-9(11(20)21)12(5,1-4(16)17)22-8(6)7(3)18/h3,5-9,13,15,18H,1-2H2,(H,14,19)(H,16,17)(H,20,21)/t3-,5-,6+,7-,8-,9+,12-/m0/s1
InChI key：
LZZKMXVQRXLKJC-DDRAKWBDSA-N
SMILES：
O[C@H]1CN[C@H]2[C@H](O[C@]3(CC(=O)O)[C@H](NC(=O)[C@H]23)C(=O)O)[C@H]1O
Systematic name (3)：
- (4aα,8aβ,8bα)-3α,4α-ジヒドロキシ-6β-カルボキシ-8-オキソデカヒドロ-1H-ピロロ[3′,4′:4,5]フロ[3,2-b]ピリジン-5aβ-酢酸
- (1R,2R,5S,6S,8S,9S,10S)-6-(カルボキシメチル)-9,10-ジヒドロキシ-3-オキソ-7-オキサ-4,12-ジアザトリシクロ[6.4.0.02,6]ドデカン-5-カルボン酸
- (1R,2R,5S,6S,8S,9S,10S)-6-(carboxymethyl)-9,10-dihydroxy-3-oxo-7-oxa-4,12-diazatricyclo[6.4.0.02,6]dodecane-5-carboxylic acid
- (4aα,8aβ,8bα)-3α,4α-Dihydroxy-6β-carboxy-8-oxodecahydro-1H-pyrrolo[3′,4′:4,5]furo[3,2-b]pyridine-5aβ-acetic acid
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