2,3,9,10-tetrahydroxyberbine

Properties Image MNX_ID MNXM34400 reference chebi:31071 formula C17H17NO4 global charge 0 mol weight 299.326 InChIKey TVKAUFJQMRSZFH-UHFFFAOYSA-N InChI InChI=1S/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2 SMILES OC1=CC2=C(C=C1O)C1CC3=CC=C(O)C(O)=C3CN1CC2 MNX internals InChI (mnx) InChI=1/C17H17NO4/c19-14-2-1-9-5-13-11-7-16(21)15(20)6-10(11)3-4-18(13)8-12(9)17(14)22/h1-2,6-7,13,19-22H,3-5,8H2/t13? SMILES (mnx) [CH:1]1=[CH:2][C:14]([OH:19])=[C:17]([OH:22])[C:12]2=[C:9]1[CH2:5][CH:13]1[C:11]3=[CH:7][C:16]([OH:21])=[C:15]([OH:20])[CH:6]=[C:10]3[CH2:3][CH2:4][N:18]1[CH2:8]2

Parent-child relations graph

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