| Properties | Image |
| MNX_ID | MNXM158142 |
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| reference | chebi:55340 |
| formula | C17H20ClNO3 |
| global charge | 0 |
| mol weight | 321.804 |
| InChIKey | XCKKIKBIPZJUET-VYKNHSEDSA-N |
| InChI | InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1 |
| SMILES | CN1CC[C@]23C4=C5C=CC(O)=C4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.Cl |
MNX internals
| InChI (mnx) | InChI=1/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1 |
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| SMILES (mnx) | [CH3:1][N:18]1[CH2:7][CH2:6][C@@:17]23[C@H:10]4[CH:3]=[CH:5][C@H:13]([OH:20])[C@@H:16]2[O:21][C:15]2=[C:12]([OH:19])[CH:4]=[CH:2][C:9](=[C:14]23)[CH2:8][C@H:11]41.[ClH:22] |
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