Chlorobiocic acid

Properties Image MNX_ID MNXM6208 reference chebi:31395 formula C21H18ClNO6 global charge 0 mol weight 415.829 InChIKey GQENLIMEQYDTDJ-UHFFFAOYSA-N InChI InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27) SMILES CC(C)=CCC1=C(O)C=CC(C(=O)NC2=C(O)C3=CC=C(O)C(Cl)=C3OC2=O)=C1 MNX internals InChI (mnx) InChI=1/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27) SMILES (mnx) [CH3:1][C:10]([CH3:2])=[CH:3][CH2:4][C:11]1=[C:14]([OH:24])[CH:7]=[CH:5][C:12]([C:20]([NH:23][C:17]2=[C:18]([OH:26])[C:13]3=[C:19]([C:16]([Cl:22])=[C:15]([OH:25])[CH:8]=[CH:6]3)[O:29][C:21]2=[O:28])=[O:27])=[CH:9]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0