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(Q82591647)
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English
(7S)-8-(3,4-Dihydroxyphenyl)-4,7-dihydroxybicyclo[3.3.1]non-3-ene-2,9-dione
group of stereoisomers with the chemical formula C₁₅H₁₄O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
290.079038168
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₄O₆
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C1C=C(O)C2CC(O)C(c3ccc(O)c(O)c3)C1C2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C1C=C(O)C2C[C@H](O)C(c3ccc(O)c(O)c3)C1C2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H14O6/c16-8-2-1-6(3-10(8)18)13-11(19)4-7-9(17)5-12(20)14(13)15(7)21/h1-3,5,7,11,13-14,16-19H,4H2/t7?,11-,13?,14?/m0/s1
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InChIKey
XQCNRDBVXGARNE-KGRTUKJNSA-N
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CAS Registry Number
1162654-18-3
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PubChem CID
45588479
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
56835937
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90670675
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DSSTOX compound identifier
DTXCID30621424
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