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(Q105036136)
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English
(1R)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
group of stereoisomers with the chemical formula C₁₆H₁₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
272.104858992
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₆H₁₆O₄
0 references
canonical SMILES
O=C1C=2C=CC=C(OC)C2C(=O)C3=C1CC(OC3C)C
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isomeric SMILES
COc1cccc2c1C(=O)C1=C(CC(C)O[C@@H]1C)C2=O
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Identifiers
InChI
InChI=1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8?,9-/m1/s1
0 references
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
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PubChem CID
134737241
1 reference
based on heuristic
inferred from InChIKey
UniChem compound ID
166929581
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fiocruz-FIO00613
1 reference
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fiocruz-FIO00614
1 reference
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fiocruz-FIO00616
1 reference
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fiocruz-FIO00615
1 reference
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
MSBNK-Fiocruz-FIO00617
1 reference
InChIKey
IAJIIJBMBCZPSW-YGPZHTELSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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