| Properties | Image |
MNX_ID | MNXM104220 |
 |
reference | chebi:65021 |
formula | C15H17NO7 |
global charge | 0 |
mol weight | 323.301 |
InChIKey | OQZPHKHJQADXAS-CKMVWSRUSA-N |
InChI | InChI=1S/C15H17NO7/c17-6-10-11(18)12(19)13(20)15(22-10)23-14(21)8-5-16-9-4-2-1-3-7(8)9/h1-5,10-13,15-20H,6H2/t10-,11-,12+,13-,15?/m1/s1 |
SMILES | O=C(OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CNC2=CC=CC=C21 |
MNX internals
InChI (mnx) | InChI=1/C15H17NO7/c17-6-10-11(18)12(19)13(20)15(22-10)23-14(21)8-5-16-9-4-2-1-3-7(8)9/h1-5,10-13,15-20H,6H2/t10-,11-,12+,13-,15?/m1/s1 |
 |
SMILES (mnx) | [CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:8]([C:14](=[O:21])[O:23][CH:15]1[C@H:13]([OH:20])[C@@H:12]([OH:19])[C@H:11]([OH:18])[C@@H:10]([CH2:6][OH:17])[O:22]1)=[CH:5][NH:16]2 |
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