Kwakhurin hydrate

Properties Image MNX_ID MNXM59232 reference lipidmapsM:LMPK12050070 formula C21H22O7 global charge 0 mol weight 386.4 InChIKey DZZKNTCXUSMJIR-UHFFFAOYSA-N InChI InChI=1S/C21H22O7/c1-21(2,26)7-6-13-18(15(23)9-16(24)20(13)27-3)14-10-28-17-8-11(22)4-5-12(17)19(14)25/h4-5,8-10,22-24,26H,6-7H2,1-3H3 SMILES COC1=C(O)C=C(O)C(C2=COC3=CC(O)=CC=C3C2=O)=C1CCC(C)(C)O MNX internals InChI (mnx) InChI=1/C21H22O7/c1-21(2,26)7-6-13-18(15(23)9-16(24)20(13)27-3)14-10-28-17-8-11(22)4-5-12(17)19(14)25/h4-5,8-10,22-24,26H,6-7H2,1-3H3 SMILES (mnx) [CH3:1][C:21]([CH3:2])([CH2:7][CH2:6][C:13]1=[C:18]([C:14]2=[CH:10][O:28][C:17]3=[C:12]([CH:5]=[CH:4][C:11]([OH:22])=[CH:8]3)[C:19]2=[O:25])[C:15]([OH:23])=[CH:9][C:16]([OH:24])=[C:20]1[O:27][CH3:3])[OH:26]

Parent-child relations graph

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