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(Q105199395)
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English
Gelselegine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
gelsedine-type alkaloid
0 references
mass
372.204907376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈N₂O₄
0 references
canonical SMILES
O=C1N(OC)C=2C=CC=CC2C13CC4N(C)C(CO)(CC)C5CC3OCC45
0 references
isomeric SMILES
CC[C@]1(CO)[C@@H]2C[C@H]3OC[C@@H]2[C@H](C[C@@]32C(=O)N(OC)c3ccccc32)N1C
0 references
found in taxon
Gelsemium elegans
1 reference
stated in
Two oxindole alkaloids from Gelsemium elegans
Identifiers
InChI
InChI=1S/C21H28N2O4/c1-4-20(12-24)15-9-18-21(10-17(22(20)2)13(15)11-27-18)14-7-5-6-8-16(14)23(26-3)19(21)25/h5-8,13,15,17-18,24H,4,9-12H2,1-3H3/t13-,15+,17-,18+,20-,21-/m0/s1
0 references
InChIKey
OSYOERKDINCIMG-IKMCGIAPSA-N
0 references
PubChem CID
102061673
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OSYOERKDINCIMG-IKMCGIAPSA-N
UniChem compound ID
96589510
1 reference
stated in
UniChem
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