| Properties | Image |
|---|
| MNX_ID | MNXM106298 |
 |
| reference | chebi:69650 |
| formula | C24H29NO11 |
| global charge | 0 |
| mol weight | 507.492 |
| InChIKey | ONSYQRQUUDJRLS-IRTUFKDUSA-N |
| InChI | InChI=1S/C24H29NO11/c1-2-14-15(6-5-13-4-3-8-25(10-13)9-7-18(27)28)16(22(32)33)12-34-23(14)36-24-21(31)20(30)19(29)17(11-26)35-24/h2-6,8,10,12,14-15,17,19-21,23-24,26,29-31H,1,7,9,11H2,(H-,27,28,32,33)/b6-5+/t14-,15+,17-,19-,20+,21-,23+,24+/m1/s1 |
| SMILES | C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)[O-])[C@H]1/C=C/C1=CC=C[N+](CCC(=O)O)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C24H29NO11/c1-2-14-15(6-5-13-4-3-8-25(10-13)9-7-18(27)28)16(22(32)33)12-34-23(14)36-24-21(31)20(30)19(29)17(11-26)35-24/h2-6,8,10,12,14-15,17,19-21,23-24,26,29-31H,1,7,9,11H2,(H-,27,28,32,33)/b6-5+/t14-,15+,17-,19-,20+,21-,23+,24+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:14]1[C@H:15](/[CH:6]=[CH:5]/[C:13]2=[CH:10][N+:25]([CH2:9][CH2:7][C:18](=[O:27])[OH:28])=[CH:8][CH:3]=[CH:4]2)[C:16]([C:22](=[O:32])[O-:33])=[CH:12][O:34][C@H:23]1[O:36][C@H:24]1[C@H:21]([OH:31])[C@@H:20]([OH:30])[C@H:19]([OH:29])[C@@H:17]([CH2:11][OH:26])[O:35]1 |
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