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(Q25323708)
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erysodienone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
Erysodienone.svg
448 × 395; 20 KB
0 references
mass
313.131408088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(13bR)-11-hydroxy-2,12-dimethoxy-5,6,8,9-tetrahydroindolo[7a,1-a]isoquinolin-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₈H₁₉NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC1=C(C=C2CCN3CCC4=CC(=O)C(=CC43C2=C1)OC)O
0 references
isomeric SMILES
COC1=C(C=C2CCN3CCC4=CC(=O)C(=C[C@@]43C2=C1)OC)O
0 references
Identifiers
InChI
InChI=1S/C18H19NO4/c1-22-16-9-13-11(7-14(16)20)3-5-19-6-4-12-8-15(21)17(23-2)10-18(12,13)19/h7-10,20H,3-6H2,1-2H3/t18-/m0/s1
0 references
InChIKey
QVVZUVOFOCDCTO-SFHVURJKSA-N
0 references
CAS Registry Number
5531-67-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
101277375
0 references
UniChem compound ID
96581998
1 reference
stated in
UniChem
Freebase ID
/m/0139x6qk
0 references
Sitelinks
Wikipedia
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enwiki
Erysodienone
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