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(Q105246587)
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English
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(3R)-oct-1-en-3-yl]oxyoxan-2-yl]methyl hydrogen sulfate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4,5-Trihydroxy-6-oct-1-en-3-yloxyoxan-2-yl)methyl hydrogen sulfate
1 reference
based on heuristic
inferred from SMILES
Bacopaside A
1 reference
based on heuristic
inferred from SMILES
mass
370.129753412
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₆O₉S
0 references
canonical SMILES
O=S(=O)(O)OCC1OC(OC(C=C)CCCCC)C(O)C(O)C1O
0 references
isomeric SMILES
C=C[C@@H](CCCCC)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O
0 references
found in taxon
Bacopa monniera
1 reference
stated in
Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera
Bacopa monnieri
1 reference
stated in
Bacopaside III, bacopasaponin G, and bacopasides A, B, and C from Bacopa monniera
Identifiers
InChI
InChI=1S/C14H26O9S/c1-3-5-6-7-9(4-2)22-14-13(17)12(16)11(15)10(23-14)8-21-24(18,19)20/h4,9-17H,2-3,5-8H2,1H3,(H,18,19,20)/t9-,10+,11+,12-,13+,14+/m0/s1
0 references
InChIKey
RWMUHOYQLHWQKA-GMDXDWKASA-N
0 references
PubChem CID
21599445
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RWMUHOYQLHWQKA-GMDXDWKASA-N
UniChem compound ID
61080330
1 reference
stated in
UniChem
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