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(Q105211071)
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English
2-[(4R)-4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylphenol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[4-(Hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylphenol
1 reference
based on heuristic
inferred from SMILES
mass
238.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₈O₄
0 references
canonical SMILES
OC1=CC(=CC=C1C2(OC(OC2)(C)C)CO)C
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isomeric SMILES
Cc1ccc([C@@]2(CO)COC(C)(C)O2)c(O)c1
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found in taxon
Centipeda minima
1 reference
stated in
Antibacterial thymol derivatives isolated from Centipeda minima
Ageratina glechonophylla
1 reference
stated in
Thymol derivatives from Eupatorium glechonophyllum
Identifiers
InChI
InChI=1S/C13H18O4/c1-9-4-5-10(11(15)6-9)13(7-14)8-16-12(2,3)17-13/h4-6,14-15H,7-8H2,1-3H3/t13-/m1/s1
0 references
InChIKey
PLNWGQHTSFMIJY-CYBMUJFWSA-N
0 references
PubChem CID
162876331
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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