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(Q82928843)
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English
(8S,10S)-7,8,9,10-Tetrahydro-6,8,10,11-tetrahydroxy-8-(1-hydroxyethyl)-1-methoxy-5,12-naphthacenedione
group of stereoisomers with the chemical formula C₂₁H₂₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
400.1158175999999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)O)C[C@@H]3O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H20O8/c1-8(22)21(28)6-10-13(11(23)7-21)19(26)16-15(18(10)25)17(24)9-4-3-5-12(29-2)14(9)20(16)27/h3-5,8,11,22-23,25-26,28H,6-7H2,1-2H3/t8?,11-,21-/m0/s1
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InChIKey
OWCHPBVMSHIYCQ-VNMREYGJSA-N
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CAS Registry Number
28008-51-7
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PubChem CID
147191
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
32037955
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40950696
0 references
DSSTOX compound identifier
DTXCID801378842
0 references
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