7,4',5'-trihydroxy-5-methoxy-2-[3-methyl-2-butenyl]-coumestan

Properties Image MNX_ID MNXM1131064 reference lipidmapsM:LMPK12090050 formula C21H20O7 global charge 0 mol weight 384.384 InChIKey JVQDLOVCTKOTJA-UHFFFAOYSA-N InChI InChI=1S/C21H20O7/c1-9(2)4-5-10-12(22)7-16-18(19(10)26-3)20-17(21(25)28-16)11-6-13(23)14(24)8-15(11)27-20/h4,6-8,17,20,22-24H,5H2,1-3H3 SMILES COC1=C(CC=C(C)C)C(O)=CC2=C1C1OC3=CC(O)=C(O)C=C3C1C(=O)O2 MNX internals InChI (mnx) InChI=1/C21H20O7/c1-9(2)4-5-10-12(22)7-16-18(19(10)26-3)20-17(21(25)28-16)11-6-13(23)14(24)8-15(11)27-20/h4,6-8,17,20,22-24H,5H2,1-3H3/t17?,20? SMILES (mnx) [CH3:1][C:9]([CH3:2])=[CH:4][CH2:5][C:10]1=[C:12]([OH:22])[CH:7]=[C:16]2[C:18](=[C:19]1[O:26][CH3:3])[CH:20]1[CH:17]([C:11]3=[CH:6][C:13]([OH:23])=[C:14]([OH:24])[CH:8]=[C:15]3[O:27]1)[C:21](=[O:25])[O:28]2

Parent-child relations graph

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