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(Q104938292)
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English
2-(Hydroxymethyl)-2-methyl-6-acetylchroman-4-one
group of stereoisomers with the chemical formula C₁₃H₁₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chromanone
1 reference
inferred from
chromanone
mass
234.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₄
0 references
canonical SMILES
O=C(C1=CC=C2OC(C)(CO)CC(=O)C2=C1)C
0 references
found in taxon
Gynura japonica
1 reference
stated in
Anti-platelet aggregation and chemical constituents from the rhizome of Gynura japonica.
Identifiers
InChI
InChI=1S/C13H14O4/c1-8(15)9-3-4-12-10(5-9)11(16)6-13(2,7-14)17-12/h3-5,14H,6-7H2,1-2H3
0 references
InChIKey
BLZODKWLXWVJLS-UHFFFAOYSA-N
0 references
PubChem CID
102064909
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BLZODKWLXWVJLS-UHFFFAOYSA-N
UniChem compound ID
97522361
1 reference
stated in
UniChem
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