| Properties | Image |
|---|
| MNX_ID | MNXM56945 |
 |
| reference | chebi:82476 |
| formula | C19H28NO7 |
| global charge | 1 |
| mol weight | 382.433 |
| InChIKey | CRWHRMSWJOLABX-NXWCFRFGSA-N |
| InChI | InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1 |
| SMILES | C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O |
MNX internals
| InChI (mnx) | InChI=1/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:4]=[C:13]1/[CH2:9][C@@H:12]([CH3:2])[C@@:18]([CH2:11][OH:21])([OH:24])[C:17](=[O:23])[O:26][CH2:10][C:14]2=[CH:5][CH2:7][N+:20]3([CH3:3])[CH2:8][CH2:6][C@H:15]([C@@:19]23[OH:25])[O:27][C:16]1=[O:22] |
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