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Calystegine B4
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
1 reference
based on heuristic
inferred from SMILES
Calystegine B3
1 reference
based on heuristic
inferred from SMILES
8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
1 reference
based on heuristic
inferred from SMILES
mass
175.084457896
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Calystegine B2
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
CID 384346
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
8-Azabicyclo[3.2.1]octane-1,2,3,4-tetrol, (1R,2R,3R,4S,5R)-
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,2S,3S,4S,5S)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₇H₁₃NO₄
0 references
canonical SMILES
OC1C(O)C2NC(O)(CC2)C1O
0 references
isomeric SMILES
O[C@H]1[C@H](O)[C@H](O)[C@H]2CC[C@]1(O)N2
0 references
found in taxon
Duboisia leichhardtii
1 reference
stated in
Calystegine alkaloids from Duboisia leichhardtii
Scopolia carniolica
1 reference
stated in
Calystegine B4, a novel trehalase inhibitor from Scopolia japonica
Solanum melongena
1 reference
stated in
CALISTEGINAS, ALCALÓIDES POLIHIDROXILADOS PRESENTES EM HORTALIÇAS: FRUTOS E TUBEROSAS
Identifiers
InChI
InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4-,5-,6+,7-/m1/s1
0 references
InChIKey
FXFBVZOJVHCEDO-BNWJMWRWSA-N
0 references
CAS Registry Number
184046-85-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10559162
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FXFBVZOJVHCEDO-BNWJMWRWSA-N
UniChem compound ID
34483274
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501317306
1 reference
matched by identifier from
InChIKey
InChIKey
FXFBVZOJVHCEDO-BNWJMWRWSA-N
UNII
Q29YLG74LW
1 reference
matched by identifier from
InChIKey
InChIKey
FXFBVZOJVHCEDO-BNWJMWRWSA-N
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