Hofmeisterin II

Properties Image MNX_ID MNXM105587 reference chebi:67436 formula C18H18O4 global charge 0 mol weight 298.338 InChIKey VCMZMLWIPPPAOG-UHFFFAOYSA-N InChI InChI=1S/C18H18O4/c1-11-3-5-13(17(21)9-11)15(19)7-8-16(20)14-6-4-12(2)10-18(14)22/h3-6,9-10,21-22H,7-8H2,1-2H3 SMILES CC1=CC(O)=C(C(=O)CCC(=O)C2=C(O)C=C(C)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C18H18O4/c1-11-3-5-13(17(21)9-11)15(19)7-8-16(20)14-6-4-12(2)10-18(14)22/h3-6,9-10,21-22H,7-8H2,1-2H3 SMILES (mnx) [CH3:1][C:11]1=[CH:9][C:17]([OH:21])=[C:13]([C:15]([CH2:7][CH2:8][C:16]([C:14]2=[C:18]([OH:22])[CH:10]=[C:12]([CH3:2])[CH:4]=[CH:6]2)=[O:20])=[O:19])[CH:5]=[CH:3]1

Parent-child relations graph

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