| Properties | Image |
|---|
| MNX_ID | MNXM12961 |
 |
| reference | chebi:80684 |
| formula | C26H30N2O8 |
| global charge | 0 |
| mol weight | 498.532 |
| InChIKey | LBRPLJCNRZUXLS-IUNANRIWSA-N |
| InChI | InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,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)N3CCC4=C(NC5=CC=CC=C54)[C@@H]3C[C@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:2][C@@H:12]1[C@@H:15]2[CH2:9][C@H:18]3[C:20]4=[C:14]([CH2:7][CH2:8][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)[C:13]1=[CH:5][CH:3]=[CH:4][CH:6]=[C:17]1[NH:27]4 |
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