candidachalcone

Properties Image MNX_ID MNXM103485 reference chebi:67345 formula C21H22O6 global charge 0 mol weight 370.401 InChIKey KOWOOXVTWKELMT-RQDFUGDESA-N InChI InChI=1S/C21H22O6/c1-21(2,26)11-10-15-17(24)12-18(27-3)19(20(15)25)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24-26H,1-3H3/b9-6+,11-10- SMILES COC1=CC(O)=C(/C=C\C(C)(C)O)C(O)=C1C(=O)/C=C/C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C21H22O6/c1-21(2,26)11-10-15-17(24)12-18(27-3)19(20(15)25)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24-26H,1-3H3/b9-6+,11-10- SMILES (mnx) [CH3:1][C:21]([CH3:2])(/[CH:11]=[CH:10]\[C:15]1=[C:20]([OH:25])[C:19]([C:16](/[CH:9]=[CH:6]/[C:13]2=[CH:5][CH:8]=[C:14]([OH:22])[CH:7]=[CH:4]2)=[O:23])=[C:18]([O:27][CH3:3])[CH:12]=[C:17]1[OH:24])[OH:26]

Parent-child relations graph

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