9-demethylmunduserone

Properties Image MNX_ID MNXM6985 reference metacycM:CPD-9533 formula C18H16O6 global charge 0 mol weight 328.32 InChIKey WXQDWUQQAGHKOV-SJORKVTESA-N InChI InChI=1S/C18H16O6/c1-21-14-6-11-12(7-15(14)22-2)23-8-16-17(11)18(20)10-4-3-9(19)5-13(10)24-16/h3-7,16-17,19H,8H2,1-2H3/t16-,17+/m1/s1 SMILES COC1=CC2=C(C=C1OC)[C@@H]1C(=O)C3=C(C=C(O)C=C3)O[C@@H]1CO2 MNX internals InChI (mnx) InChI=1/C18H16O6/c1-21-14-6-11-12(7-15(14)22-2)23-8-16-17(11)18(20)10-4-3-9(19)5-13(10)24-16/h3-7,16-17,19H,8H2,1-2H3/t16-,17+/m1/s1 SMILES (mnx) [CH3:1][O:21][C:14]1=[C:15]([O:22][CH3:2])[CH:7]=[C:12]2[C:11](=[CH:6]1)[C@H:17]1[C@@H:16]([CH2:8][O:23]2)[O:24][C:13]2=[C:10]([CH:4]=[CH:3][C:9]([OH:19])=[CH:5]2)[C:18]1=[O:20]

Parent-child relations graph

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