Ambofuranol

Properties Image MNX_ID MNXM41727 reference lipidmapsM:LMPK12160035 formula C21H22O5 global charge 0 mol weight 354.402 InChIKey CRFPSPZXZWQQHE-UHFFFAOYSA-N InChI InChI=1S/C21H22O5/c1-12(2)5-6-13-9-16-19(11-17(13)22)26-21(20(16)25-4)15-8-7-14(24-3)10-18(15)23/h5,7-11,22-23H,6H2,1-4H3 SMILES COC1=CC=C(C2=C(OC)C3=CC(CC=C(C)C)=C(O)C=C3O2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C21H22O5/c1-12(2)5-6-13-9-16-19(11-17(13)22)26-21(20(16)25-4)15-8-7-14(24-3)10-18(15)23/h5,7-11,22-23H,6H2,1-4H3 SMILES (mnx) [CH3:1][C:12]([CH3:2])=[CH:5][CH2:6][C:13]1=[CH:9][C:16]2=[C:19]([CH:11]=[C:17]1[OH:22])[O:26][C:21]([C:15]1=[C:18]([OH:23])[CH:10]=[C:14]([O:24][CH3:3])[CH:7]=[CH:8]1)=[C:20]2[O:25][CH3:4]

Parent-child relations graph

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