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(Q104920006)
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English
(2S)-3-(7-methoxy-1,3-benzodioxol-5-yl)propane-1,2-diol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
1,2-Propanediol, 3-(7-methoxy-1,3-benzodioxol-5-yl)-
1 reference
based on heuristic
inferred from InChIKey
mass
226.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₅
0 references
canonical SMILES
OCC(O)CC1=CC(OC)=C2OCOC2=C1
0 references
isomeric SMILES
COc1cc(C[C@H](O)CO)cc2c1OCO2
0 references
found in taxon
Todaroa aurea
1 reference
stated in
Two phenylpropanoids from Todaroa aurea subsp. Suaveolens
Identifiers
InChI
InChI=1S/C11H14O5/c1-14-9-3-7(2-8(13)5-12)4-10-11(9)16-6-15-10/h3-4,8,12-13H,2,5-6H2,1H3/t8-/m0/s1
0 references
InChIKey
AWESBQDPCBCYFU-QMMMGPOBSA-N
0 references
PubChem CID
92470498
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AWESBQDPCBCYFU-QMMMGPOBSA-N
UniChem compound ID
4979307
1 reference
stated in
UniChem
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