Ampelopsin D

Properties Image MNX_ID MNXM119160 reference hmdb:HMDB0040894 formula C28H22O6 global charge 0 mol weight 454.478 InChIKey NJFRRNXUFGQUEK-NUGSKGIGSA-N InChI InChI=1S/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(17-10-20(31)12-21(32)11-17)26(23)16-3-7-19(30)8-4-16/h1-14,26-27,29-34H/b23-9+ SMILES OC1=CC=C(/C=C2\C3=C(C(O)=CC(O)=C3)C(C3=CC(O)=CC(O)=C3)C2C2=CC=C(O)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C28H22O6/c29-18-5-1-15(2-6-18)9-23-24-13-22(33)14-25(34)28(24)27(17-10-20(31)12-21(32)11-17)26(23)16-3-7-19(30)8-4-16/h1-14,26-27,29-34H/b23-9+/t26?,27? SMILES (mnx) [CH:1]1=[CH:5][C:18]([OH:29])=[CH:6][CH:2]=[C:15]1/[CH:9]=[C:23]1\[C:24]2=[C:28]([C:25]([OH:34])=[CH:14][C:22]([OH:33])=[CH:13]2)[CH:27]([C:17]2=[CH:10][C:20]([OH:31])=[CH:12][C:21]([OH:32])=[CH:11]2)[CH:26]1[C:16]1=[CH:4][CH:8]=[C:19]([OH:30])[CH:7]=[CH:3]1

Parent-child relations graph

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