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(Q105349343)
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English
8-(4-hydroxy-3-methoxyphenyl)-6-oxooctane-4-sulfonic acid
group of stereoisomers with the chemical formula C₁₅H₂₂O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
330.113709424
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₆S
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C(OC)=C1)CC(CCC)S(=O)(=O)O
0 references
Identifiers
InChI
InChI=1S/C15H22O6S/c1-3-4-13(22(18,19)20)10-12(16)7-5-11-6-8-14(17)15(9-11)21-2/h6,8-9,13,17H,3-5,7,10H2,1-2H3,(H,18,19,20)
0 references
InChIKey
YJMGVBJYAHWWPU-UHFFFAOYSA-N
0 references
PubChem CID
22298189
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJMGVBJYAHWWPU-UHFFFAOYSA-N
UniChem compound ID
56587365
1 reference
stated in
UniChem
NMRShiftDB structure ID
10019454
1 reference
matched by identifier from
InChIKey
InChIKey
YJMGVBJYAHWWPU-UHFFFAOYSA-N
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