agatharesinol

Properties Image MNX_ID MNXM40424 reference chebi:53627 formula C17H18O4 global charge 0 mol weight 286.327 InChIKey DVUXXXYVVWRAIA-UDEVJOAWSA-N InChI InChI=1S/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/b10-3+/t16-,17+/m0/s1 SMILES OC[C@@H](O)[C@@H](/C=C/C1=CC=C(O)C=C1)C1=CC=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C17H18O4/c18-11-17(21)16(13-4-8-15(20)9-5-13)10-3-12-1-6-14(19)7-2-12/h1-10,16-21H,11H2/b10-3+/t16-,17+/m0/s1 SMILES (mnx) [CH:1]1=[CH:6][C:14]([OH:19])=[CH:7][CH:2]=[C:12]1/[CH:3]=[CH:10]/[C@@H:16]([C:13]1=[CH:5][CH:9]=[C:15]([OH:20])[CH:8]=[CH:4]1)[C@@H:17]([CH2:11][OH:18])[OH:21]

Parent-child relations graph

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