| Properties | Image |
|---|
| MNX_ID | MNXM7720 |
 |
| reference | chebi:80683 |
| formula | C26H28N2O9 |
| global charge | 0 |
| mol weight | 512.515 |
| InChIKey | ODQBQUXGRYBRTP-FWMZWJSFSA-N |
| InChI | InChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,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(NC5=C(C=CC=C5)C4=O)[C@@H]3C[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:11]1[C@@H:13]2[CH2:7][C@H:17]3[C:19]4=[C:14]([CH2:8][N:28]3[C:24](=[O:34])[C:15]2=[CH:10][O:35][C@H:25]1[O:37][C@H:26]1[C@H:23]([OH:33])[C@@H:22]([OH:32])[C@H:21]([OH:31])[C@@H:18]([CH2:9][OH:29])[O:36]1)[C:20](=[O:30])[C:12]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:16]1[NH:27]4 |
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