Chem
J-GLOBAL ID:200907013087098448
Nikkaji number:J1.361.288I
Cardiospermin
カルジオスペルミン
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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:
C11 H17 NO7
Molecular formula furigana:
C11-H17-N-O7
Molecular weight:
275.257
InChI:
InChI=1S/C11H17NO7/c1-5(3-13)6(2-12)18-11-10(17)9(16)8(15)7(4-14)19-11/h7-11,13-17H,3-4H2,1H3/t7-,8-,9+,10-,11-/m1/s1
InChI key:
BHBASGIWBJUREK-KAMPLNKDSA-N
SMILES:
CC(=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C#N)CO
Systematic name (3):
2-(β-D-グルコピラノシルオキシ)-3-メチル-4-ヒドロキシ-2-ブテンニトリル
4-ヒドロキシ-3-メチル-2-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ブタ-2-エンニトリル
4-hydroxy-3-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}but-2-enenitrile
Other name (3):
2-(β-D-Glucopyranosyloxy)-3-methyl-4-hydroxy-2-butenenitrile
カルジオスペルミン
Cardiospermin
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