7(8),7'(8')-tetrahydrojusticidin B

Properties Image MNX_ID MNXM15012 reference metacycM:CPD-13464 formula C21H20O6 global charge 0 mol weight 368.385 InChIKey LAFREGHROJJWDK-UHFFFAOYSA-N InChI InChI=1S/C21H20O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3 SMILES COC1=C(OC)C=C2C(=C1)CC1COC(=O)C1C2C1=CC=C2OCOC2=C1 MNX internals InChI (mnx) InChI=1/C21H20O6/c1-23-16-7-12-5-13-9-25-21(22)20(13)19(14(12)8-17(16)24-2)11-3-4-15-18(6-11)27-10-26-15/h3-4,6-8,13,19-20H,5,9-10H2,1-2H3/t13?,19?,20? SMILES (mnx) [CH3:1][O:23][C:16]1=[C:17]([O:24][CH3:2])[CH:8]=[C:14]2[C:12](=[CH:7]1)[CH2:5][CH:13]1[CH2:9][O:25][C:21](=[O:22])[CH:20]1[CH:19]2[C:11]1=[CH:6][C:18]2=[C:15]([CH:4]=[CH:3]1)[O:26][CH2:10][O:27]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0