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(Q105141301)
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English
(2S)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)propane-1,2-diol
1 reference
based on heuristic
inferred from SMILES
mass
256.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₆
0 references
canonical SMILES
OCC(O)CC1=CC(OC)=C2OCOC2=C1OC
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isomeric SMILES
COc1cc(C[C@H](O)CO)c(OC)c2c1OCO2
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found in taxon
Piper sumatranum
1 reference
stated in
A neolignan from Piper sumatranum
Mespilodaphne cymbarum
1 reference
stated in
Allylphenols from Ocotea cymbarum
Piper ribesioides
1 reference
stated in
A neolignan from Piper sumatranum
Identifiers
InChI
InChI=1S/C12H16O6/c1-15-9-4-7(3-8(14)5-13)10(16-2)12-11(9)17-6-18-12/h4,8,13-14H,3,5-6H2,1-2H3/t8-/m0/s1
0 references
InChIKey
KHRJUDSEFYIHFT-QMMMGPOBSA-N
0 references
PubChem CID
26342746
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
14719324
1 reference
stated in
UniChem
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