| Properties | Image |
| MNX_ID | MNXM159150 |
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| reference | chebi:7866 |
| formula | C17H20ClNO4 |
| global charge | 0 |
| mol weight | 337.803 |
| InChIKey | BCGJBQBWUGVESK-KCTCKCTRSA-N |
| InChI | InChI=1S/C17H19NO4.ClH/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9;/h2-3,12,15,19,21H,4-8H2,1H3;1H/t12-,15+,16+,17-;/m1./s1 |
| SMILES | CN1CC[C@]23C4=C5O[C@H]2C(=O)CC[C@@]3(O)[C@H]1CC4=CC=C5O.Cl |
MNX internals
| InChI (mnx) | InChI=1/C17H19NO4.ClH/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9;/h2-3,12,15,19,21H,4-8H2,1H3;1H/t12-,15+,16+,17-;/m1./s1 |
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| SMILES (mnx) | [CH3:1][N:18]1[CH2:7][CH2:6][C@:16]23[C:13]4=[C:9]5[CH:2]=[CH:3][C:10]([OH:19])=[C:14]4[O:22][C@H:15]2[C:11](=[O:20])[CH2:4][CH2:5][C@@:17]3([OH:21])[C@H:12]1[CH2:8]5.[ClH:23] |
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