| Properties | Image |
|---|
| MNX_ID | MNXM32198 |
 |
| reference | keggC:C12171 |
| formula | C20H23NO6 |
| global charge | 0 |
| mol weight | 373.405 |
| InChIKey | IUKYXZADSGGCJJ-UJXPUUNTSA-N |
| InChI | InChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17-,18+,19-,20-/m1/s1 |
| SMILES | CC(=O)O[C@H]1[C@H]2C3=C(C=C4OCOC4=C3)CN3CC[C@H](C[C@H]1OC(C)=O)[C@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17-,18+,19-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:10](=[O:22])[O:26][C@@H:17]1[CH2:5][C@H:12]2[CH2:3][CH2:4][N:21]3[CH2:8][C:13]4=[CH:6][C:15]5=[C:16]([CH:7]=[C:14]4[C@@H:18]([C@@H:19]23)[C@@H:20]1[O:27][C:11]([CH3:2])=[O:23])[O:25][CH2:9][O:24]5 |
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