| Properties | Image |
|---|
| MNX_ID | MNXM31603 |
 |
| reference | chebi:59188 |
| formula | C28H31NO5 |
| global charge | 0 |
| mol weight | 461.558 |
| InChIKey | FZGVEKPRDOIXJY-QHCPKHFHSA-N |
| InChI | InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3/t23-/m0/s1 |
| SMILES | CC1=CC=C(C(=O)OC2=CC=C([C@@H](O)CNC(C)(C)C)C=C2OC(=O)C2=CC=C(C)C=C2)C=C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3/t23-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:7][CH:11]=[C:20]([C:26](=[O:31])[O:33][C:24]2=[C:25]([O:34][C:27]([C:21]3=[CH:13][CH:9]=[C:19]([CH3:2])[CH:8]=[CH:12]3)=[O:32])[CH:16]=[C:22]([C@H:23]([CH2:17][NH:29][C:28]([CH3:3])([CH3:4])[CH3:5])[OH:30])[CH:14]=[CH:15]2)[CH:10]=[CH:6]1 |
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