| Properties | Image |
| MNX_ID | MNXM156667 |
 |
| reference | keggD:D04479 |
| formula | C17H24BrNO3 |
| global charge | 0 |
| mol weight | 370.287 |
| InChIKey | VZDNSFSBCMCXSK-PGQIENJJSA-N |
| InChI | InChI=1S/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/m1./s1 |
| SMILES | Br.CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)C1=CC=CC=C1)C2 |
MNX internals
| InChI (mnx) | InChI=1/C17H23NO3.BrH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16-;/m1./s1 |
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| SMILES (mnx) | [BrH:22].[CH3:1][N:18]1[C@@H:13]2[CH2:7][CH2:8][C@H:14]1[CH2:10][C@@H:15]([O:21][C:17]([C@H:16]([CH2:11][OH:19])[C:12]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)=[O:20])[CH2:9]2 |
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