Justicidin B

Properties Image MNX_ID MNXM8782 reference chebi:6094 formula C21H16O6 global charge 0 mol weight 364.353 InChIKey RTDRYYULUYRTAN-UHFFFAOYSA-N InChI InChI=1S/C21H16O6/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/h3-8H,9-10H2,1-2H3 SMILES COC1=CC2=CC3=C(C(=O)OC3)C(C3=CC4=C(C=C3)OCO4)=C2C=C1OC MNX internals InChI (mnx) InChI=1/C21H16O6/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/h3-8H,9-10H2,1-2H3 SMILES (mnx) [CH3:1][O:23][C:16]1=[CH:7][C:12]2=[CH:5][C:13]3=[C:20]([C:19]([C:11]4=[CH:6][C:18]5=[C:15]([CH:4]=[CH:3]4)[O:26][CH2:10][O:27]5)=[C:14]2[CH:8]=[C:17]1[O:24][CH3:2])[C:21](=[O:22])[O:25][CH2:9]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0