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(Q83013845)
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beta-Methylmelibiose
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
356.1318615879999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Gentiobioside
1 reference
based on heuristic
inferred from InChI
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₄O₁₁
0 references
canonical SMILES
COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O
0 references
Identifiers
InChI
InChI=1S/C13H24O11/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7-,8+,9+,10-,11-,12-,13+/m1/s1
0 references
InChIKey
ZQPVHVKWCGZNDW-YFKDRYSXSA-N
0 references
CAS Registry Number
107911-44-4
0 references
PubChem CID
130008
0 references
UniChem compound ID
54869454
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30148328
1 reference
matched by identifier from
InChIKey
InChIKey
ZQPVHVKWCGZNDW-YFKDRYSXSA-N
DSSTOX compound identifier
DTXCID0070819
0 references
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