(2S,3S)-trans-delta-viniferin

Properties Image MNX_ID MNXM149396 reference chebi:76141 formula C28H22O6 global charge 0 mol weight 454.478 InChIKey LILPTCHQLRKZNG-LPGNHZEISA-N InChI InChI=1S/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1 SMILES OC1=CC=C([C@H]2OC3=CC=C(/C=C/C4=CC(O)=CC(O)=C4)C=C3[C@@H]2C2=CC(O)=CC(O)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m0/s1 SMILES (mnx) [CH:1](=[CH:2]/[C:17]1=[CH:9][C:21]([OH:30])=[CH:14][C:22]([OH:31])=[CH:10]1)\[C:16]1=[CH:11][C:25]2=[C:26]([CH:8]=[CH:3]1)[O:34][C@H:28]([C:18]1=[CH:5][CH:7]=[C:20]([OH:29])[CH:6]=[CH:4]1)[C@H:27]2[C:19]1=[CH:12][C:23]([OH:32])=[CH:15][C:24]([OH:33])=[CH:13]1

Parent-child relations graph

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