| Properties | Image |
|---|
| MNX_ID | MNXM57772 |
 |
| reference | chebi:5977 |
| formula | C18H25NO7 |
| global charge | 0 |
| mol weight | 367.398 |
| InChIKey | IDIMIWQPUHURPV-WTWIWYCDSA-N |
| InChI | InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1 |
| SMILES | C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:3]=[C:12]1/[CH2:8][C@@H:11]([CH3:2])[C@@:18]([CH2:10][OH:20])([OH:23])[C:17](=[O:22])[O:25][CH2:9][C:13]2=[CH:4][CH2:6][N+:19]3([O-:24])[CH2:7][CH2:5][C@H:14]([C@@H:15]23)[O:26][C:16]1=[O:21] |
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