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(Q83116686)
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(S)-Homolaudanosine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
371.20965840799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Homolaudanosine
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₉NO₄
0 references
canonical SMILES
COc1ccc(CCC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CCC2=CC(=C(C=C2[C@@H]1CCC3=CC(=C(C=C3)OC)OC)OC)OC
0 references
Identifiers
InChI
InChI=1S/C22H29NO4/c1-23-11-10-16-13-21(26-4)22(27-5)14-17(16)18(23)8-6-15-7-9-19(24-2)20(12-15)25-3/h7,9,12-14,18H,6,8,10-11H2,1-5H3/t18-/m0/s1
0 references
InChIKey
AECKSTRRHRODOS-SFHVURJKSA-N
0 references
CAS Registry Number
85611-40-1
0 references
PubChem CID
158838
1 reference
matched by identifier from
InChIKey
InChIKey
AECKSTRRHRODOS-SFHVURJKSA-N
UniChem compound ID
34109627
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50234838
1 reference
matched by identifier from
InChIKey
InChIKey
AECKSTRRHRODOS-SFHVURJKSA-N
DSSTOX compound identifier
DTXCID80157329
0 references
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