Dinklagin B

Properties Image MNX_ID MNXM51047 reference chebi:193280 formula C20H18O6 global charge 0 mol weight 354.358 InChIKey FJVQQAWOOLFVQM-UHFFFAOYSA-N InChI InChI=1S/C20H18O6/c1-20(2)17(23)7-12-15(26-20)9-16-18(19(12)24)13(22)8-14(25-16)10-3-5-11(21)6-4-10/h3-6,8-9,17,21,23-24H,7H2,1-2H3 SMILES CC1(C)OC2=C(CC1O)C(O)=C1C(=O)C=C(C3=CC=C(O)C=C3)OC1=C2 MNX internals InChI (mnx) InChI=1/C20H18O6/c1-20(2)17(23)7-12-15(26-20)9-16-18(19(12)24)13(22)8-14(25-16)10-3-5-11(21)6-4-10/h3-6,8-9,17,21,23-24H,7H2,1-2H3/t17? SMILES (mnx) [CH3:1][C:20]1([CH3:2])[CH:17]([OH:23])[CH2:7][C:12]2=[C:19]([OH:24])[C:18]3=[C:16]([CH:9]=[C:15]2[O:26]1)[O:25][C:14]([C:10]1=[CH:4][CH:6]=[C:11]([OH:21])[CH:5]=[CH:3]1)=[CH:8][C:13]3=[O:22]

Parent-child relations graph

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