| Properties | Image |
MNX_ID | MNXM168792 |
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reference | sabiorkM:26479 |
formula | C12H15NO7 |
global charge | 0 |
mol weight | 285.252 |
InChIKey | YILIDCGSXCGACV-BVWHHUJWSA-N |
InChI | InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1 |
SMILES | C[C@H]1O[C@@H](OC2=CC=C([N+](=O)[O-])C=C2)[C@H](O)[C@@H](O)[C@H]1O |
MNX internals
InChI (mnx) | InChI=1/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1 |
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SMILES (mnx) | [CH3:1][C@@H:6]1[C@H:9]([OH:14])[C@H:10]([OH:15])[C@@H:11]([OH:16])[C@H:12]([O:20][C:8]2=[CH:5][CH:3]=[C:7]([N+:13]([O-:17])=[O:18])[CH:2]=[CH:4]2)[O:19]1 |
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