| Properties | Image |
MNX_ID | MNXM164708 |
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reference | sabiorkM:23441 |
formula | C12H16N2O3 |
global charge | 0 |
mol weight | 236.271 |
InChIKey | OMNVYXHOSHNURL-PSASIEDQSA-N |
InChI | InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m1/s1 |
SMILES | C[C@@H](N)C(O)=N[C@H](CC1=CC=CC=C1)C(=O)O |
MNX internals
InChI (mnx) | InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m1/s1 |
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SMILES (mnx) | [CH3:1][C@H:8]([C:11](=[N:14][C@H:10]([CH2:7][C:9]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:12](=[O:16])[OH:17])[OH:15])[NH2:13] |
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