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English
(1S,2S)-1-(4-methoxyphenyl)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
182.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1R,2S)-1-(4-methoxyphenyl)propane-1,2-diol
1 reference
based on heuristic
inferred from InChI
Bjerkanderol A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₀H₁₄O₃
0 references
canonical SMILES
OC(C1=CC=C(OC)C=C1)C(O)C
0 references
isomeric SMILES
C[C@@H]([C@H](C1=CC=C(C=C1)OC)O)O
0 references
found in taxon
Foeniculum vulgare
2 references
stated in
Inhibition on human liver cytochrome P450 3A4 by constituents of fennel (Foeniculum vulgare): identification and characterization of a mechanism-based inactivator
stated in
Five New Monoterpene Glycosides and Other Compounds from Foeniculi Fructus (Fruit of Foeniculum vulgare MILLER).
Illicium verum
1 reference
stated in
Neurotropic components from star anise (Illicium verum Hook. fil.)
Identifiers
InChI
InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1
0 references
InChIKey
MRDZSBVJWOXBRW-OIBJUYFYSA-N
0 references
PubChem CID
12387012
0 references
ChEBI ID
168966
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H14O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7,10-12H,1-2H3/t7-,10+/m0/s1
UniChem compound ID
9919272
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0032607
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRDZSBVJWOXBRW-OIBJUYFYSA-N
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