| Properties | Image |
|---|
| MNX_ID | MNXM107493 |
 |
| reference | chebi:69390 |
| formula | C22H31NO6 |
| global charge | 0 |
| mol weight | 405.491 |
| InChIKey | WAULTDWQPCNZBI-AYLZAKLKSA-N |
| InChI | InChI=1S/C22H31NO6/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(26-4)12(3)21(25)27-20)29-22(16,28-15)9-6-10-23(13)17/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13+,14+,15+,16+,17-,22+/m0/s1 |
| SMILES | CC[C@@H](O)[C@H]1CC[C@H]2O[C@@]34CCCN1[C@@H]2[C@H]3[C@H](C)/C(=C1/OC(=O)C(C)=C1OC)O4 |
MNX internals
| InChI (mnx) | InChI=1/C22H31NO6/c1-5-14(24)13-7-8-15-17-16-11(2)19(20-18(26-4)12(3)21(25)27-20)29-22(16,28-15)9-6-10-23(13)17/h11,13-17,24H,5-10H2,1-4H3/b20-19-/t11-,13+,14+,15+,16+,17-,22?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:5][C@H:14]([C@H:13]1[CH2:7][CH2:8][C@@H:15]2[C@H:17]3[C@H:16]4[C@H:11]([CH3:2])/[C:19](=[C:20]5\[C:18]([O:26][CH3:4])=[C:12]([CH3:3])[C:21](=[O:25])[O:27]5)[O:29][C@@:22]4([CH2:9][CH2:6][CH2:10][N:23]13)[O:28]2)[OH:24] |
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