| Properties | Image |
|---|
| MNX_ID | MNXM153444 |
 |
| reference | keggD:D07694 |
| formula | C26H29MgNO10 |
| global charge | 0 |
| mol weight | 539.82 |
| InChIKey | FQCQGOZEWWPOKI-UHFFFAOYSA-K |
| InChI | InChI=1S/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2/p-3 |
| SMILES | C[N+](C)(C)CCO.O=C([O-])C1=C(O)C=CC=C1.O=C([O-])C1=C(O)C=CC=C1.O=C([O-])C1=C(O)C=CC=C1.[Mg+2] |
MNX internals
| InChI (mnx) | InChI=1/3C7H6O3.C5H14NO.Mg/c3*8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7;/h3*1-4,8H,(H,9,10);7H,4-5H2,1-3H3;/q;;;+1;+2 |
 |
| SMILES (mnx) | [CH3:31][N+:36]([CH3:32])([CH3:33])[CH2:34][CH2:35][OH:37].[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.[CH:21]1=[CH:22][CH:24]=[C:26]([OH:28])[C:25]([C:27](=[O:29])[OH:30])=[CH:23]1.[Mg+2:38] |
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