| Properties | Image |
MNX_ID | MNXM161965 |
 |
reference | keggD:D08501 |
formula | C13H21NO6 |
global charge | 0 |
mol weight | 287.312 |
InChIKey | UEVAMYPIMMOEFW-UHFFFAOYSA-N |
InChI | InChI=1S/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2 |
SMILES | O=C(O)C1=C(O)C=CC=C1.OCCN(CCO)CCO |
MNX internals
InChI (mnx) | InChI=1/C7H6O3.C6H15NO3/c8-6-4-2-1-3-5(6)7(9)10;8-4-1-7(2-5-9)3-6-10/h1-4,8H,(H,9,10);8-10H,1-6H2 |
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SMILES (mnx) | [CH2:11]([CH2:14][OH:18])[N:17]([CH2:12][CH2:15][OH:19])[CH2:13][CH2:16][OH:20].[CH:1]1=[CH:2][CH:4]=[C:6]([OH:8])[C:5]([C:7](=[O:9])[OH:10])=[CH:3]1 |
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