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(Q104914029)
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Shimaurinoside B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-Pentan-2-yloxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
1 reference
based on heuristic
inferred from SMILES
mass
382.18389716
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R,4S,5S,6R)-2-[(2R)-pentan-2-yl]oxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₆H₃₀O₁₀
0 references
canonical SMILES
OC1COC(OCC2OC(OC(C)CCC)C(O)C(O)C2O)C(O)C1O
0 references
isomeric SMILES
CCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Alangium premnifolium
1 reference
stated in
Glycosides of megastigmane and of the simple alcohols from Alangium premnifolium
Camellia sinensis
1 reference
stated in
Medicinal flowers. XIV. New acylated oleanane-type triterpene oligoglycosides with antiallergic activity from flower buds of chinese tea plant (Camellia sinensis).
Identifiers
InChI
InChI=1S/C16H30O10/c1-3-4-7(2)25-16-14(22)12(20)11(19)9(26-16)6-24-15-13(21)10(18)8(17)5-23-15/h7-22H,3-6H2,1-2H3/t7-,8+,9+,10-,11+,12-,13+,14+,15-,16+/m0/s1
0 references
InChIKey
ALDQQSZYUDZKBF-ZHFVSHRQSA-N
0 references
PubChem CID
101995249
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ALDQQSZYUDZKBF-ZHFVSHRQSA-N
UniChem compound ID
97890333
1 reference
stated in
UniChem
KNApSAcK ID
C00060420
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ALDQQSZYUDZKBF-ZHFVSHRQSA-N
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