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raucaffrinoline
MNXM5289 is deprecated and here replaced by MNXM737770
!!! Alternative mappings exist !!!
| Properties | Image | Occurences in reactions |
|---|
| MNX_ID | MNXM737770 | 
|
| #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
| formula | C21H24N2O3 |
| charge | 0 |
| mass | 352.17869 |
| reference | chebi:63167 |
| InChIKey | XIMPCXFLDSKALH-FXRWJBKJSA-N |
| InChI | InChI=1S/C21H24N2O3/c1-10-13(9-24)12-7-16-19-21(14-5-3-4-6-15(14)22-19)8-17(23(10)16)18(12)20(21)26-11(2)25/h3-6,10,12-13,16-18,20,24H,7-9H2,1-2H3/t10-,12-,13-,16-,17-,18?,20+,21+/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C2[C@H]3C[C@H]4C5=Nc6ccccc6[C@]51C[C@@H]2N4[C@@H](C)[C@@H]3CO |
|
| Parent-child relations graph |
Deprecated MNXref IDs graph |
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:63167
chebi:63167
| raucaffrinoline
(17R,20alpha,21beta)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate
(6S,8S,9R,10S,11aS,12aR)-9-(hydroxymethyl)-8-methyl-8,9,10,11,11a,12-hexahydro-6H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizin-13-yl acetate
|
kegg.compound:C19931
keggC:C19931
| Raucaffrinoline
|
seed.compound:cpd21170
seedM:cpd21170
| Raucaffrinoline
(17R,20alpha,21beta)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18-norajmalan-17-yl acetate
raucaffrinoline
|
keggC:M_C19931
seedM:M_cpd21170
| secondary/obsolete/fantasy identifier
|
