Chem
J-GLOBAL ID：201007028353166258   Nikkaji number：J2.780.250H

beta-Fabatriose

β-ファバトリオース
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： C18H30O16
Molecular formula furigana： C18-H30-O16
Molecular weight： 502.422
InChI： InChI=1S/C18H30O16/c1-3-5(20)7(22)11(26)17(30-3)34-14-8(23)6(21)4(2-19)31-18(14)33-13-10(25)9(24)12(15(27)28)32-16(13)29/h3-14,16-26,29H,2H2,1H3,(H,27,28)/t3-,4+,5-,6-,7+,8-,9-,10-,11+,12-,13+,14+,16+,17-,18-/m0/s1
InChI key： NDHWVPLSWYRBNC-HNQAFTETSA-N
SMILES： C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@H]2[C@H](O)O[C@@H]([C@@H](O)[C@@H]2O)C(=O)O)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-O-(2-O-α-L-ラムノピラノシル-β-D-ガラクトピラノシル)-β-D-グルコピラヌロン酸
  • (2S,3S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(2S,3R,4R,5R,6S)-3,4,5-トリヒドロキシ-6-メチルオキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3,4,6-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,6-trihydroxyoxane-2-carboxylic acid
Other name (4)：
  • 2-O-(2-O-α-L-Rhamnopyranosyl-β-D-galactopyranosyl)-β-D-glucopyranuronic acid
  • alpha-L-Rhamnopyranosyl-(1→2)-beta-D-galactopyranosyl-(1→2)-beta-D-glucuronopyranoside
  • beta-Fabatriose
  • β-ファバトリオース
KEGG COMPOUND： C12082
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