| Properties | Image |
|---|
| MNX_ID | MNXM108071 |
 |
| reference | chebi:68262 |
| formula | C25H29NO8 |
| global charge | 0 |
| mol weight | 471.506 |
| InChIKey | SNYJGFQPMREKTL-RIBUPEPRSA-N |
| InChI | InChI=1S/C25H29NO8/c1-22(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-24-11-23(2)25(32,12-24)10-15(34-23)20(22)24/h4-6,9,15,20,27,30,32H,7-8,10-12H2,1-3H3,(H,26,29)/t15-,20-,22+,23-,24+,25-/m0/s1 |
| SMILES | COC(=O)C1=C(O)C(NC(=O)CC[C@]2(C)C(=O)C=C[C@]34C[C@@]5(O)C[C@H](O[C@@]5(C)C3)[C@H]42)=C(O)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C25H29NO8/c1-22(8-7-17(29)26-18-14(27)5-4-13(19(18)30)21(31)33-3)16(28)6-9-24-11-23(2)25(32,12-24)10-15(34-23)20(22)24/h4-6,9,15,20,27,30,32H,7-8,10-12H2,1-3H3,(H,26,29)/t15-,20-,22+,23-,24+,25-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@:22]1([CH2:8][CH2:7][C:17](=[N:26][C:18]2=[C:14]([OH:27])[CH:5]=[CH:4][C:13]([C:21](=[O:31])[O:33][CH3:3])=[C:19]2[OH:30])[OH:29])[C:16](=[O:28])[CH:6]=[CH:9][C@:24]23[CH2:11][C@@:23]4([CH3:2])[C@:25]([OH:32])([CH2:10][C@@H:15]([C@@H:20]12)[O:34]4)[CH2:12]3 |
|