| Properties | Image |
MNX_ID | MNXM168732 |
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reference | sabiorkM:23097 |
formula | C12H15NO8 |
global charge | 0 |
mol weight | 301.251 |
InChIKey | KUWPCJHYPSUOFW-ZIQFBCGOSA-N |
InChI | InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1 |
SMILES | O=[N+]([O-])C1=CC=CC=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-4-2-1-3-6(7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1 |
 |
SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:7]([O:20][C@@H:12]2[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:8]([CH2:5][OH:14])[O:21]2)[C:6]([N+:13]([O-:18])=[O:19])=[CH:3]1 |
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