| Properties | Image |
|---|
| MNX_ID | MNXM107659 |
 |
| reference | chebi:66733 |
| formula | C20H21NO7 |
| global charge | 0 |
| mol weight | 387.388 |
| InChIKey | JCBUXRPOTHJGDK-VRCPBSEVSA-N |
| InChI | InChI=1S/C20H21NO7/c1-21-16(23)8-18-6-12(22)17(24-2)20(25-3)19(18,21)7-15(28-20)10-4-13-14(5-11(10)18)27-9-26-13/h4-5,15,17H,6-9H2,1-3H3/t15-,17+,18+,19-,20-/m0/s1 |
| SMILES | CO[C@@H]1C(=O)C[C@]23CC(=O)N(C)[C@@]24C[C@H](O[C@@]14OC)C1=C3C=C2OCOC2=C1 |
MNX internals
| InChI (mnx) | InChI=1/C20H21NO7/c1-21-16(23)8-18-6-12(22)17(24-2)20(25-3)19(18,21)7-15(28-20)10-4-13-14(5-11(10)18)27-9-26-13/h4-5,15,17H,6-9H2,1-3H3/t15-,17+,18+,19-,20-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:21]1[C:16](=[O:23])[CH2:8][C@@:18]23[CH2:6][C:12](=[O:22])[C@@H:17]([O:24][CH3:2])[C@@:20]4([O:25][CH3:3])[C@:19]21[CH2:7][C@@H:15]([C:10]1=[CH:4][C:13]2=[C:14]([CH:5]=[C:11]13)[O:27][CH2:9][O:26]2)[O:28]4 |
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