Laudanosoline

Properties Image MNX_ID MNXM59801 reference chebi:31764 formula C17H19NO4 global charge 0 mol weight 301.342 InChIKey VHRSWCTVFBWHKE-UHFFFAOYSA-N InChI InChI=1S/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3 SMILES CN1CCC2=C(C=C(O)C(O)=C2)C1CC1=CC=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C17H19NO4/c1-18-5-4-11-8-16(21)17(22)9-12(11)13(18)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,19-22H,4-6H2,1H3/t13? SMILES (mnx) [CH3:1][N:18]1[CH2:5][CH2:4][C:11]2=[CH:8][C:16]([OH:21])=[C:17]([OH:22])[CH:9]=[C:12]2[CH:13]1[CH2:6][C:10]1=[CH:7][C:15]([OH:20])=[C:14]([OH:19])[CH:3]=[CH:2]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0