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(Q104394619)
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Rumberine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
mitraphylline-type alkaloid
0 references
mass
384.168521868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₄N₂O₅
0 references
canonical SMILES
COC(=O)C1=COC(C)C2CN3CCC4(C(=O)Nc5ccc(O)cc54)C3CC12
0 references
isomeric SMILES
COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5ccc(O)cc54)[C@@H]3C[C@H]12
0 references
found in taxon
Hamelia patens
1 reference
stated in
Oxindole alkaloids from Uncaria macrophylla
Identifiers
InChI
InChI=1S/C21H24N2O5/c1-11-14-9-23-6-5-21(16-7-12(24)3-4-17(16)22-20(21)26)18(23)8-13(14)15(10-28-11)19(25)27-2/h3-4,7,10-11,13-14,18,24H,5-6,8-9H2,1-2H3,(H,22,26)/t11-,13-,14-,18-,21-/m0/s1
0 references
InChIKey
WDOSCDMZYXDQLB-NPJJOBTJSA-N
0 references
PubChem CID
102094751
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WDOSCDMZYXDQLB-NPJJOBTJSA-N
UniChem compound ID
97352109
1 reference
stated in
UniChem
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