(-)-dehydrodiconiferyl acid ketone

Properties Image MNX_ID MNXM147622 reference chebi:131933 formula C20H17O7 global charge -1 mol weight 369.349 InChIKey WJCNWNKOLJMKJE-WARYXCEBSA-M InChI InChI=1S/C20H18O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-10,14,19,22H,1-2H3,(H,23,24)/p-1/b6-3+/t14-,19+/m1/s1 SMILES COC1=CC([C@@H]2OC3=C(OC)C=C(/C=C/C(=O)[O-])C=C3[C@H]2C=O)=CC=C1O MNX internals InChI (mnx) InChI=1/C20H18O7/c1-25-16-9-12(4-5-15(16)22)19-14(10-21)13-7-11(3-6-18(23)24)8-17(26-2)20(13)27-19/h3-10,14,19,22H,1-2H3,(H,23,24)/b6-3+/t14-,19+/m1/s1 SMILES (mnx) [CH3:1][O:25][C:16]1=[C:15]([OH:22])[CH:5]=[CH:4][C:12]([C@H:19]2[C@H:14]([CH:10]=[O:21])[C:13]3=[C:20]([C:17]([O:26][CH3:2])=[CH:8][C:11](/[CH:3]=[CH:6]/[C:18](=[O:23])[OH:24])=[CH:7]3)[O:27]2)=[CH:9]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0