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(Q104934733)
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English
(5S,6X)-6-Ethyl-5-hydroxy-3-hydroxymethyl-5,6,7,8-tetrahydrobenzo[b]pyran-4-one
group of stereoisomers with the chemical formula C₁₂H₁₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
224.104858992
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
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canonical SMILES
O=C1C(=COC2=C1C(O)C(CC)CC2)CO
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Identifiers
InChI
InChI=1S/C12H16O4/c1-2-7-3-4-9-10(11(7)14)12(15)8(5-13)6-16-9/h6-7,11,13-14H,2-5H2,1H3
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InChIKey
BFQQKLXDPGTJKC-UHFFFAOYSA-N
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PubChem CID
14208867
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
31995681
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030680
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BFQQKLXDPGTJKC-UHFFFAOYSA-N
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