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(Q82777302)
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English
(2S)-3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
242.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₅
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canonical SMILES
OCC(O)CC1=CC(OC)=C(OC)C(OC)=C1
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isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C[C@@H](CO)O
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found in taxon
Todaroa aurea
1 reference
stated in
Two phenylpropanoids from Todaroa aurea subsp. Suaveolens
Identifiers
InChI
InChI=1S/C12H18O5/c1-15-10-5-8(4-9(14)7-13)6-11(16-2)12(10)17-3/h5-6,9,13-14H,4,7H2,1-3H3/t9-/m0/s1
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InChIKey
SNDFRVPKIVPGED-VIFPVBQESA-N
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CAS Registry Number
638990-29-1
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PubChem CID
71380746
1 reference
matched by identifier from
InChIKey
InChIKey
SNDFRVPKIVPGED-VIFPVBQESA-N
UniChem compound ID
53189970
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30803243
1 reference
matched by identifier from
InChIKey
InChIKey
SNDFRVPKIVPGED-VIFPVBQESA-N
DSSTOX compound identifier
DTXCID80753986
0 references
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