| Properties | Image |
|---|
| MNX_ID | MNXM106300 |
 |
| reference | chebi:69652 |
| formula | C26H33NO11 |
| global charge | 0 |
| mol weight | 535.546 |
| InChIKey | PJIVLFIKRZQZOE-URGZVSNXSA-N |
| InChI | InChI=1S/C26H33NO11/c1-3-16-17(9-8-15-6-4-10-27(12-15)11-5-7-20(29)30)18(24(34)35-2)14-36-25(16)38-26-23(33)22(32)21(31)19(13-28)37-26/h3-4,6,8-10,12,14,16-17,19,21-23,25-26,28,31-33H,1,5,7,11,13H2,2H3/b9-8+/t16-,17+,19-,21-,22+,23-,25+,26+/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)OC)[C@H]1/C=C/C1=CC=C[N+](CCCC(=O)[O-])=C1 |
MNX internals
| InChI (mnx) | InChI=1/C26H33NO11/c1-3-16-17(9-8-15-6-4-10-27(12-15)11-5-7-20(29)30)18(24(34)35-2)14-36-25(16)38-26-23(33)22(32)21(31)19(13-28)37-26/h3-4,6,8-10,12,14,16-17,19,21-23,25-26,28,31-33H,1,5,7,11,13H2,2H3/b9-8+/t16-,17+,19-,21-,22+,23-,25+,26+/m1/s1 |
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| SMILES (mnx) | [CH2:1]=[CH:3][C@@H:16]1[C@H:17](/[CH:9]=[CH:8]/[C:15]2=[CH:12][N+:27]([CH2:11][CH2:5][CH2:7][C:20](=[O:29])[O-:30])=[CH:10][CH:4]=[CH:6]2)[C:18]([C:24](=[O:34])[O:35][CH3:2])=[CH:14][O:36][C@H:25]1[O:38][C@H:26]1[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:19]([CH2:13][OH:28])[O:37]1 |
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