Feedback
sarpagine
MNXM4104 is deprecated and here replaced by MNXM735628
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM735628 |
 |
| reference | chebi:9036 |
| formula | C19H22N2O2 |
| global charge | 0 |
| mol weight | 310.397 |
| InChIKey | VTVQHYQGTTVKDE-CCUKBNNFSA-N |
| InChI | InChI=1S/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17-,18-/m0/s1 |
| SMILES | C/C=C1/CN2C3CC4=C(NC5=CC=C(O)C=C54)[C@@H]2C[C@@H]1[C@H]3CO |
MNX internals
| InChI (mnx) | InChI=1/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3/b10-2-/t12-,15+,17-,18-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:2]=[C:10]1/[CH2:8][N:21]2[C@H:17]3[CH2:7][C:14]4=[C:19]([C@@H:18]2[CH2:6][C@@H:12]1[C@H:15]3[CH2:9][OH:22])[NH:20][C:16]1=[CH:4][CH:3]=[C:11]([OH:23])[CH:5]=[C:13]41 |
|
| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:9036
chebi:9036
VTVQHYQGTTVKDE-CCUKBNNFSA-N
| sarpagine
(+)-sarpagine
10,17-sarpagandiol
Sarpagine
raupin
sarpagan-10,17-diol
|