(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-heptene

Properties Image MNX_ID MNXM100822 reference chebi:70694 formula C21H24O5 global charge 0 mol weight 356.418 InChIKey QSIWSPJKOPVWIU-GVTIMSHASA-N InChI InChI=1S/C21H24O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h2,4,6-7,9-11,13-14,19,23-25H,3,5,8,12H2,1H3/b4-2+/t19-/m0/s1 SMILES CC(=O)O[C@@H](CC/C=C/C1=CC=C(O)C=C1)CCC1=CC(O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C21H24O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h2,4,6-7,9-11,13-14,19,23-25H,3,5,8,12H2,1H3/b4-2+/t19-/m0/s1 SMILES (mnx) [CH3:1][C:15](=[O:22])[O:26][C@@H:19]([CH2:5][CH2:3]/[CH:2]=[CH:4]/[C:16]1=[CH:7][CH:11]=[C:18]([OH:23])[CH:10]=[CH:6]1)[CH2:12][CH2:8][C:17]1=[CH:14][C:21]([OH:25])=[C:20]([OH:24])[CH:13]=[CH:9]1

Parent-child relations graph

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