cis-rhaponticin

Properties Image MNX_ID MNXM1129108 reference chebi:169947 formula C21H24O9 global charge 0 mol weight 420.414 InChIKey GKAJCVFOJGXVIA-JGOUSXGWSA-N InChI InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2-/t17-,18-,19+,20-,21-/m1/s1 SMILES COC1=CC=C(/C=C\C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)C=C1O MNX internals InChI (mnx) InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2-/t17-,18-,19+,20-,21-/m1/s1 SMILES (mnx) [CH3:1][O:28][C:16]1=[C:15]([OH:24])[CH:8]=[C:11](/[CH:2]=[CH:3]\[C:12]2=[CH:6][C:13]([OH:23])=[CH:9][C:14]([O:29][C@H:21]3[C@H:20]([OH:27])[C@@H:19]([OH:26])[C@H:18]([OH:25])[C@@H:17]([CH2:10][OH:22])[O:30]3)=[CH:7]2)[CH:4]=[CH:5]1

Parent-child relations graph

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