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(Q104179973)
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English
7-Acetyl-2,3,6-trihydroxy-2-methyl-3,4-dihydronaphthalen-1-one
group of stereoisomers with the chemical formula C₁₃H₁₄O₅
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
250.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₅
0 references
canonical SMILES
O=C(C=1C=C2C(=O)C(O)(C)C(O)CC2=CC1O)C
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found in taxon
Monascus olei
1 reference
stated in
Secondary metabolites from the red mould rice of Monascus purpureus BCRC 38113.
Identifiers
InChI
InChI=1S/C13H14O5/c1-6(14)8-5-9-7(3-10(8)15)4-11(16)13(2,18)12(9)17/h3,5,11,15-16,18H,4H2,1-2H3
0 references
InChIKey
NSRAXDCHRMOUJF-UHFFFAOYSA-N
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PubChem CID
162882470
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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