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(Q105176840)
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English
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Koaburaside monomethyl ether
1 reference
based on heuristic
inferred from SMILES
(2S,3R,4R,5S)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
1 reference
based on heuristic
inferred from SMILES
mass
346.126382284
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
koaburside
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₉
0 references
canonical SMILES
OCC1OC(OC=2C=C(OC)C(OC)=C(OC)C2)C(O)C(O)C1O
0 references
isomeric SMILES
COc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
0 references
found in taxon
Cladogynos orientalis
1 reference
stated in
Aromatic diglycosides from Cladogynos orientalis
Caroxylon tetrandrum
1 reference
stated in
Phytochemical constituents from Salsola tetrandra.
Identifiers
InChI
InChI=1S/C15H22O9/c1-20-8-4-7(5-9(21-2)14(8)22-3)23-15-13(19)12(18)11(17)10(6-16)24-15/h4-5,10-13,15-19H,6H2,1-3H3/t10-,11+,12+,13-,15-/m1/s1
0 references
InChIKey
NBLLRWANAFOKON-NLRWUALESA-N
0 references
PubChem CID
159732830
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NBLLRWANAFOKON-NLRWUALESA-N
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