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(Q82996806)
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English
Benzo[pqr]tetraphen-7-yl hexopyranosiduronic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
444.1209029799999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₀O₇
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)C1OC(Oc2cccc3c2cc2ccc4cccc5ccc3c2c45)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)[C@H]1OC(Oc2cccc3c2cc2ccc4cccc5ccc3c2c45)[C@H](O)[C@@H](O)[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C26H20O7/c27-21-22(28)24(25(30)31)33-26(23(21)29)32-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1-11,21-24,26-29H,(H,30,31)/t21-,22-,23+,24-,26?/m0/s1
0 references
InChIKey
PARRUFHTMWAUMD-BFZHNPFYSA-N
0 references
CAS Registry Number
82298-37-1
0 references
PubChem CID
150733
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
52237506
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401002598
0 references
DSSTOX compound identifier
DTXCID501429533
0 references
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