Stachyline D

Properties Image MNX_ID MNXM109007 reference chebi:70078 formula C13H18O4 global charge 0 mol weight 238.283 InChIKey AZNLHCRHYZQMCK-GFCCVEGCSA-N InChI InChI=1S/C13H18O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1 SMILES CC(C)[C@H](O)COC1=CC=C(CC(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C13H18O4/c1-9(2)12(14)8-17-11-5-3-10(4-6-11)7-13(15)16/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1 SMILES (mnx) [CH3:1][CH:9]([CH3:2])[C@@H:12]([CH2:8][O:17][C:11]1=[CH:6][CH:4]=[C:10]([CH2:7][C:13](=[O:15])[OH:16])[CH:3]=[CH:5]1)[OH:14]

Parent-child relations graph

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