| Properties | Image |
|---|
| MNX_ID | MNXM1371243 |
 |
| reference | metacycM:VELLOSIMINE |
| formula | C19H20N2O |
| global charge | 0 |
| mol weight | 292.382 |
| InChIKey | MHASSCPGKAMILD-PQKPIAESSA-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+/m1/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+/m1/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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