Chem
J-GLOBAL ID:200907095397414176
Nikkaji number:J817.993J
2-Hydroxy-4-(2-hydroxyethyl)phenyl 2-O-(D-apio-β-D-furanosyl)-β-D-glucopyranoside
2-ヒドロキシ-4-(2-ヒドロキシエチル)フェニル2-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシド
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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:
C19 H28 O12
Molecular formula furigana:
C19-H28-O12
Molecular weight:
448.421
InChI:
InChI=1S/C19H28O12/c20-4-3-9-1-2-11(10(23)5-9)29-17-15(14(25)13(24)12(6-21)30-17)31-18-16(26)19(27,7-22)8-28-18/h1-2,5,12-18,20-27H,3-4,6-8H2/t12-,13-,14+,15-,16+,17-,18+,19-/m1/s1
InChI key:
FBBSMLGWVVCTJZ-DERWZFJFSA-N
SMILES:
OCCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c(O)c1
Systematic name (3):
2-ヒドロキシ-4-(2-ヒドロキシエチル)フェニル2-O-(D-アピオ-β-D-フラノシル)-β-D-グルコピラノシド
(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-ジヒドロキシ-4-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-6-[2-ヒドロキシ-4-(2-ヒドロキシエチル)フェノキシ]-2-(ヒドロキシメチル)オキサン-3,4-ジオール
(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-2-(hydroxymethyl)oxane-3,4-diol
Other name (1):
2-Hydroxy-4-(2-hydroxyethyl)phenyl 2-O-(D-apio-β-D-furanosyl)-β-D-glucopyranoside
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