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5,6-dimethyl-1-pentofuranosyl-1h-benzimidazole
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
278.126657056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈N₂O₄
0 references
canonical SMILES
OCC1OC(N2C=NC=3C=C(C(=CC32)C)C)C(O)C1O
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3
0 references
InChIKey
HLRUKOJSWOKCPP-UHFFFAOYSA-N
0 references
CAS Registry Number
13082-84-3
0 references
PubChem CID
211
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HLRUKOJSWOKCPP-UHFFFAOYSA-N
UniChem compound ID
60172119
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40274263
1 reference
matched by identifier from
InChIKey
InChIKey
HLRUKOJSWOKCPP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70225743
0 references
NSC number
124155
0 references
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