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Revision as of 10:24, 1 July 2023 by
Egonw
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Statements
instance of
group of stereoisomers
0 references
SMILES (without stereochemistry)
COC1=CC(=C(C2=C1C3=C(C(=O)OC3)C(=O)O2)C(C=O)C(C=O)O)O
0 references
chemical formula
C₁₆H₁₂O₉
1 reference
based on heuristic
inferred from SMILES
mass
348.2617
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C16H12O9/c1-23-10-2-8(19)11(6(3-17)9(20)4-18)14-12(10)7-5-24-15(21)13(7)16(22)25-14/h2-4,6,9,19-20H,5H2,1H3
1 reference
based on heuristic
inferred from SMILES
InChIKey
MTRNKJQPSSVUEH-UHFFFAOYSA-N
0 references
PubChem CID
44224030
1 reference
based on heuristic
inferred from InChIKey
xenobiotic metabolism pathway
WP699
0 references