Chem
J-GLOBAL ID：201007006379322009   Nikkaji number：J2.874.553B

Kankanoside O

カンカノシドO
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： C16H26O8
Molecular formula furigana： C16-H26-O8
Molecular weight： 346.376
InChI： InChI=1S/C16H26O8/c1-9(4-3-5-10(2)15(21)22)6-7-23-16-14(20)13(19)12(18)11(8-17)24-16/h5-6,11-14,16-20H,3-4,7-8H2,1-2H3,(H,21,22)/b9-6+,10-5+/t11-,12-,13+,14-,16-/m1/s1
InChI key： ASZSYMZCLJJNIT-GJVXBPNCSA-N
SMILES： C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/CC/C=C(\C)/C(=O)O
Systematic name  (3)：
  • (2E,6E)-2,6-ジメチル-8-(β-D-グルコピラノシルオキシ)-2,6-オクタジエン酸
  • (2E,6E)-2,6-ジメチル-8-{[(2R,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}オクタ-2,6-ジエン酸
  • (2E,6E)-2,6-dimethyl-8-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octa-2,6-dienoic acid
Other name (3)：
  • (2E,6E)-2,6-Dimethyl-8-(β-D-glucopyranosyloxy)-2,6-octadienoic acid
  • カンカノシドO
  • Kankanoside O
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