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Bungeiside A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-[5-Hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1 reference
based on heuristic
inferred from SMILES
mass
314.100167536
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
1-[5-hydroxy-2-[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₈O₈
0 references
canonical SMILES
O=C(C1=CC(O)=CC=C1OC2OC(CO)C(O)C(O)C2O)C
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isomeric SMILES
CC(=O)C1=C(C=CC(=C1)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
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found in taxon
Cynanchum bungei
1 reference
stated in
Constituents of the Roots of Cynanchum bungei Decne. Isolation and Structures of Four New Glucosides, Bungeiside-A, -B, -C, and -D
Identifiers
InChI
InChI=1S/C14H18O8/c1-6(16)8-4-7(17)2-3-9(8)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,10-15,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1
0 references
InChIKey
GXBCTYRBTGLIQW-RKQHYHRCSA-N
0 references
CAS Registry Number
149475-52-5
0 references
PubChem CID
127685
1 reference
matched by identifier from
InChIKey
InChIKey
GXBCTYRBTGLIQW-RKQHYHRCSA-N
UniChem compound ID
33478968
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00164277
1 reference
matched by identifier from
InChIKey
InChIKey
GXBCTYRBTGLIQW-RKQHYHRCSA-N
DSSTOX compound identifier
DTXCID5086768
0 references
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