| Properties | Image |
|---|
| MNX_ID | MNXM7275 |
 |
| reference | chebi:80685 |
| formula | C26H28N2O8 |
| global charge | 0 |
| mol weight | 496.516 |
| InChIKey | BNDDTTIRGZIQSE-ZEZHKYRDSA-N |
| InChI | InChI=1S/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18+,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=C2C(=O)N3CC4=C(N=C5C=CC=CC5=C4)[C@@H]3C[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C26H28N2O8/c1-2-14-15-8-18-20-13(7-12-5-3-4-6-17(12)27-20)9-28(18)24(33)16(15)11-34-25(14)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-7,11,14-15,18-19,21-23,25-26,29-32H,1,8-10H2/t14-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:14]1[C@@H:15]2[CH2:8][C@H:18]3[C:20]4=[N:27][C:17]5=[CH:6][CH:4]=[CH:3][CH:5]=[C:12]5[CH:7]=[C:13]4[CH2:9][N:28]3[C:24](=[O:33])[C:16]2=[CH:11][O:34][C@H:25]1[O:36][C@H:26]1[C@H:23]([OH:32])[C@@H:22]([OH:31])[C@H:21]([OH:30])[C@@H:19]([CH2:10][OH:29])[O:35]1 |
|