| Properties | Image |
|---|
| MNX_ID | MNXM51081 |
 |
| reference | chebi:31506 |
| formula | C23H25NO4 |
| global charge | 0 |
| mol weight | 379.456 |
| InChIKey | NNCITNDNYQWFCU-ZNLKAECVSA-N |
| InChI | InChI=1S/C23H25NO4/c1-11-9-14-5-6-15(23(27)20(14)18(10-11)28-4)16-7-8-17-19(22(16)26)12(2)24-13(3)21(17)25/h5-10,12-13,21,24-27H,1-4H3/t12-,13-,21+/m1/s1 |
| SMILES | COC1=CC(C)=CC2=C1C(O)=C(C1=CC=C3C(=C1O)[C@@H](C)N[C@H](C)[C@@H]3O)C=C2 |
MNX internals
| InChI (mnx) | InChI=1/C23H25NO4/c1-11-9-14-5-6-15(23(27)20(14)18(10-11)28-4)16-7-8-17-19(22(16)26)12(2)24-13(3)21(17)25/h5-10,12-13,21,24-27H,1-4H3/t12-,13-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:11]1=[CH:10][C:18]([O:28][CH3:4])=[C:20]2[C:14](=[CH:9]1)[CH:5]=[CH:6][C:15]([C:16]1=[C:22]([OH:26])[C:19]3=[C:17]([CH:8]=[CH:7]1)[C@@H:21]([OH:25])[C@@H:13]([CH3:3])[NH:24][C@@H:12]3[CH3:2])=[C:23]2[OH:27] |
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