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(Q82879184)
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Benzyl pentopyranoside
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
240.099773612
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₂H₁₆O₅
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canonical SMILES
OC1COC(OCc2ccccc2)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)O)O)O
0 references
Identifiers
InChI
InChI=1S/C12H16O5/c13-9-7-17-12(11(15)10(9)14)16-6-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10+,11-,12-/m1/s1
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InChIKey
XUGMDBJXWCFLRQ-WRWGMCAJSA-N
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CAS Registry Number
10548-61-5
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PubChem CID
151522
1 reference
matched by identifier from
InChIKey
InChIKey
XUGMDBJXWCFLRQ-WRWGMCAJSA-N
UniChem compound ID
637683
1 reference
stated in
UniChem
NMRShiftDB structure ID
10019094
1 reference
matched by identifier from
InChIKey
InChIKey
XUGMDBJXWCFLRQ-WRWGMCAJSA-N
DSSTox substance ID
DTXSID90909558
1 reference
matched by identifier from
InChIKey
InChIKey
XUGMDBJXWCFLRQ-WRWGMCAJSA-N
DSSTOX compound identifier
DTXCID001338620
0 references
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