| Properties | Image |
|---|
| MNX_ID | MNXM169407 |
 |
| reference | metacycM:CPD-18792 |
| formula | C20H33NO13 |
| global charge | 0 |
| mol weight | 495.478 |
| InChIKey | BQUDPJQDCONIAM-BODIBILESA-N |
| InChI | InChI=1S/C20H33NO13/c22-3-6-1-8(13(27)16(30)11(6)25)21-9-2-7(4-23)12(26)19(14(9)28)34-20-18(32)17(31)15(29)10(5-24)33-20/h1-2,8-32H,3-5H2/t8-,9-,10+,11+,12+,13-,14-,15+,16-,17-,18+,19-,20-/m0/s1 |
| SMILES | OCC1=C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H33NO13/c22-3-6-1-8(13(27)16(30)11(6)25)21-9-2-7(4-23)12(26)19(14(9)28)34-20-18(32)17(31)15(29)10(5-24)33-20/h1-2,8-32H,3-5H2/t8-,9-,10+,11+,12+,13-,14-,15+,16-,17-,18+,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[C:6]([CH2:3][OH:22])[C@@H:11]([OH:25])[C@H:16]([OH:30])[C@@H:13]([OH:27])[C@H:8]1[NH:21][C@H:9]1[CH:2]=[C:7]([CH2:4][OH:23])[C@@H:12]([OH:26])[C@H:19]([O:34][C@H:20]2[C@H:18]([OH:32])[C@@H:17]([OH:31])[C@H:15]([OH:29])[C@@H:10]([CH2:5][OH:24])[O:33]2)[C@H:14]1[OH:28] |
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