| Properties | Image |
|---|
| MNX_ID | MNXM42057 |
 |
| reference | chebi:2708 |
| formula | C21H25NO5 |
| global charge | 0 |
| mol weight | 371.433 |
| InChIKey | ABMMKLCVJJTPJD-LHSJRXKWSA-N |
| InChI | InChI=1S/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21+/m0/s1 |
| SMILES | COC1=C[C@@]23CCN(C)[C@@H](CCC4=C2C(OC)=C(O)C(OC)=C4)C3=CC1=O |
MNX internals
| InChI (mnx) | InChI=1/C21H25NO5/c1-22-8-7-21-11-17(26-3)15(23)10-13(21)14(22)6-5-12-9-16(25-2)19(24)20(27-4)18(12)21/h9-11,14,24H,5-8H2,1-4H3/t14-,21?/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][N:22]1[CH2:8][CH2:7][C@@:21]23[CH:11]=[C:17]([O:26][CH3:3])[C:15](=[O:23])[CH:10]=[C:13]2[C@@H:14]1[CH2:6][CH2:5][C:12]1=[C:18]3[C:20]([O:27][CH3:4])=[C:19]([OH:24])[C:16]([O:25][CH3:2])=[CH:9]1 |
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