| Properties | Image |
|---|
| MNX_ID | MNXM740590 |
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| reference | biggM:HC01787 |
| formula | C12H17NaO10 |
| global charge | 0 |
| mol weight | 344.248 |
| InChIKey | ZGUYXYAGTSSIIA-ZFXQZNNKSA-M |
| InChI | InChI=1S/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/p-1/t3-,4-,6-,7+,8+,9+,11?,12+;/m0./s1 |
| SMILES | C[C@@H]1OC(O)[C@H](O[C@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C12H18O10.Na/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18;/h2-4,6-9,11-16,19H,1H3,(H,17,18);/q;+1/t3-,4-,6-,7+,8+,9+,11?,12+;/m0./s1 |
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| SMILES (mnx) | [CH3:1][C@H:3]1[C@H:6]([OH:14])[C@@H:8]([OH:16])[C@@H:9]([O:22][C@@H:12]2[C@H:7]([OH:15])[C@@H:4]([OH:13])[CH:2]=[C:5]([C:10](=[O:17])[OH:18])[O:21]2)[CH:11]([OH:19])[O:20]1.[Na+:23] |
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