O-demethylbuchenavianine

Properties Image MNX_ID MNXM107450 reference chebi:65739 formula C21H21NO4 global charge 0 mol weight 351.402 InChIKey BBZGOLNDVQZCIH-UHFFFAOYSA-N InChI InChI=1S/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3 SMILES CN1CCCCC1C1=C2OC(C3=CC=CC=C3)=CC(=O)C2=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C21H21NO4/c1-22-10-6-5-9-14(22)19-15(23)11-16(24)20-17(25)12-18(26-21(19)20)13-7-3-2-4-8-13/h2-4,7-8,11-12,14,23-24H,5-6,9-10H2,1H3/t14? SMILES (mnx) [CH3:1][N:22]1[CH2:10][CH2:6][CH2:5][CH2:9][CH:14]1[C:19]1=[C:21]2[C:20](=[C:16]([OH:24])[CH:11]=[C:15]1[OH:23])[C:17](=[O:25])[CH:12]=[C:18]([C:13]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[O:26]2

Parent-child relations graph

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