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16-epivellosimine
MNXM2060 is deprecated and here replaced by MNXM732387
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM732387 |
 |
| reference | chebi:16425 |
| formula | C19H20N2O |
| global charge | 0 |
| mol weight | 292.382 |
| InChIKey | MHASSCPGKAMILD-MIOJWWSHSA-N |
| InChI | InChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1 |
| SMILES | C/C=C1/CN2C3CC4=C(NC5=CC=CC=C54)[C@@H]2C[C@@H]1[C@@H]3C=O |
MNX internals
| InChI (mnx) | InChI=1/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:2]=[C:11]1/[CH2:9][N:21]2[C@H:17]3[CH2:8][C:14]4=[C:19]([C@@H:18]2[CH2:7][C@@H:13]1[C@@H:15]3[CH:10]=[O:22])[NH:20][C:16]1=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]41 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 4 |
| in models (compartimentalized) |
1 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:16425
chebi:16425
MHASSCPGKAMILD-MIOJWWSHSA-N
| 16-epivellosimine
16-Epivellosimine
16-episarpagan-17-al
|
kegg.compound:C11633
keggC:C11633
vmhM:16evsmn
vmhmetabolite:16evsmn
MHASSCPGKAMILD-MIOJWWSHSA-N
| 16-Epivellosimine
|
hmdb:HMDB0304026
MHASSCPGKAMILD-MIOJWWSHSA-N
| 16-epivellosimine
(1S,12S,13S,14R,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.0^{2,10}.0^{4,9}.0^{12,17}]octadeca-2(10),4(9),5,7-tetraene-13-carbaldehyde
16-Epi-vellosimine
|
chebi:11329
chebi:765
keggC:M_C11633
vmhM:M_16evsmn
| secondary/obsolete/fantasy identifier
|