| Properties | Image |
MNX_ID | MNXM161153 |
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reference | keggD:D01625 |
formula | C6H11NaO8 |
global charge | 0 |
mol weight | 234.136 |
InChIKey | ICQRTPLATMRWJI-JLWXJWIASA-M |
InChI | InChI=1S/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/p-1/t2-,3+,4-,5-;;/m0../s1 |
SMILES | O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-].[Na+] |
MNX internals
InChI (mnx) | InChI=1/C6H10O7.Na.H2O/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h1-5,8-11H,(H,12,13);;1H2/q;+1;/t2-,3+,4-,5-;;/m0../s1 |
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SMILES (mnx) | [CH:1]([C@@H:2]([C@H:3]([C@@H:4]([C@@H:5]([C:6](=[O:12])[OH:13])[OH:11])[OH:10])[OH:9])[OH:8])=[O:7].[Na+:14].[OH2:15] |
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