| Properties | Image |
MNX_ID | MNXM1364401 |
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reference | biggM:dmlz |
formula | C13H18N4O6 |
global charge | 0 |
mol weight | 326.309 |
InChIKey | SXDXRJZUAJBNFL-UHFFFAOYSA-N |
InChI | InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23) |
SMILES | CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1 |
MNX internals
InChI (mnx) | InChI=1/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7?,8?,10? |
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SMILES (mnx) | [CH3:1][C:5]1=[C:6]([CH3:2])[N:17]([CH2:3][CH:7]([CH:10]([CH:8]([CH2:4][OH:18])[OH:20])[OH:21])[OH:19])[C:11]2=[N:15][C:13](=[O:23])[N:16]=[C:12]([OH:22])[C:9]2=[N:14]1 |
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