| Properties | Image |
|---|
| MNX_ID | MNXM30115 |
 |
| reference | chebi:33990 |
| formula | C21H21NO6 |
| global charge | 0 |
| mol weight | 383.4 |
| InChIKey | JZUTXVTYJDCMDU-RBUKOAKNSA-N |
| InChI | InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1 |
| SMILES | COC1=C(OC)C2=C(C=C1)[C@H]([C@@H]1C3=C(C=C4OCOC4=C3)CCN1C)OC2=O |
MNX internals
| InChI (mnx) | InChI=1/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:22]1[CH2:7][CH2:6][C:11]2=[CH:8][C:15]3=[C:16]([CH:9]=[C:13]2[C@H:18]1[C@H:19]1[C:12]2=[C:17]([C:20]([O:25][CH3:3])=[C:14]([O:24][CH3:2])[CH:5]=[CH:4]2)[C:21](=[O:23])[O:28]1)[O:27][CH2:10][O:26]3 |
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