| Properties | Image |
|---|
| MNX_ID | MNXM160966 |
 |
| reference | keggD:D05788 |
| formula | C24H46MgN2O16S |
| global charge | 0 |
| mol weight | 675.002 |
| InChIKey | GQVWFGYYMWLERN-UHFFFAOYSA-J |
| InChI | InChI=1S/2C7H6O3.2C5H14NO.Mg.H2O4S.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)4-5-7;;1-5(2,3)4;;;;/h2*1-4,8H,(H,9,10);2*7H,4-5H2,1-3H3;;(H2,1,2,3,4);4*1H2/q;;2*+1;+2;;;;;/p-4 |
| SMILES | C[N+](C)(C)CCO.C[N+](C)(C)CCO.O.O.O.O.O=C([O-])C1=C(O)C=CC=C1.O=C([O-])C1=C(O)C=CC=C1.O=S(=O)([O-])[O-].[Mg+2] |
MNX internals
| InChI (mnx) | InChI=1/2C7H6O3.2C5H14NO.Mg.H2O4S.4H2O/c2*8-6-4-2-1-3-5(6)7(9)10;2*1-6(2,3)4-5-7;;1-5(2,3)4;;;;/h2*1-4,8H,(H,9,10);2*7H,4-5H2,1-3H3;;(H2,1,2,3,4);4*1H2/q;;2*+1;+2;;;;; |
 |
| SMILES (mnx) | [CH3:21][N+:26]([CH3:22])([CH3:23])[CH2:24][CH2:25][OH:27].[CH3:28][N+:33]([CH3:29])([CH3:30])[CH2:31][CH2:32][OH:34].[CH:11]1=[CH:12][CH:14]=[C:16]([OH:18])[C:15]([C:17](=[O:19])[OH:20])=[CH:13]1.[CH:1]1=[CH:2][CH:4]=[C:6]([OH:8])[C:5]([C:7](=[O:9])[OH:10])=[CH:3]1.[Mg+2:35].[OH2:41].[OH2:42].[OH2:43].[OH2:44].[OH:36][S:40]([OH:37])(=[O:38])=[O:39] |
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