| Properties | Image |
|---|
| MNX_ID | MNXM159615 |
 |
| reference | keggD:D02148 |
| formula | C23H25NO6 |
| global charge | 0 |
| mol weight | 411.454 |
| InChIKey | WFXURHIXPXVPGM-LREBCSMRSA-N |
| InChI | InChI=1S/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 |
| SMILES | CN1CCC2=C(C1)C(C1=CC=CC=C1)C1=C2C=CC=C1.O=C(O)[C@H](O)[C@@H](O)C(=O)O |
MNX internals
| InChI (mnx) | InChI=1/C19H19N.C4H6O6/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14;5-1(3(7)8)2(6)4(9)10/h2-10,19H,11-13H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t19?;1-,2-/m.1/s1 |
 |
| SMILES (mnx) | [C@@H:21]([C@H:22]([C:24](=[O:29])[OH:30])[OH:26])([C:23](=[O:27])[OH:28])[OH:25].[CH3:1][N:20]1[CH2:12][CH2:11][C:16]2=[C:18]([CH2:13]1)[CH:19]([C:14]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[C:17]1=[CH:10][CH:6]=[CH:5][CH:9]=[C:15]21 |
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