compound 0076656

Properties Image MNX_ID MNXM1193570 reference envipathM:...b1f8d1740c82 formula C14H16NO7 global charge -1 mol weight 310.282 InChIKey KSDSZCSJFBPKTA-UHFFFAOYSA-M InChI InChI=1S/C14H17NO7/c16-7-15-9-3-1-8(2-4-9)5-10(13(20)14(21)22)11(17)6-12(18)19/h1-4,10-11,13-14,17,20-22H,5-6H2,(H,18,19)/p-1 SMILES O=C=NC1=CC=C(CC(C(O)CC(=O)[O-])C(O)C(O)O)C=C1 MNX internals InChI (mnx) InChI=1/C14H17NO7/c16-7-15-9-3-1-8(2-4-9)5-10(13(20)14(21)22)11(17)6-12(18)19/h1-4,10-11,13-14,17,20-22H,5-6H2,(H,18,19)/t10?,11?,13? SMILES (mnx) [CH:1]1=[CH:3][C:9]([N:15]=[C:7]=[O:16])=[CH:4][CH:2]=[C:8]1[CH2:5][CH:10]([CH:11]([CH2:6][C:12](=[O:18])[OH:19])[OH:17])[CH:13]([CH:14]([OH:21])[OH:22])[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0