6-hydroxy-allocryptopine

Properties Image MNX_ID MNXM114602 reference metacycM:CPD-14846 formula C21H23NO6 global charge 0 mol weight 385.416 InChIKey IILCKSYIKQRGAO-UHFFFAOYSA-N InChI InChI=1S/C21H23NO6/c1-22-10-15-12(4-5-17(25-2)21(15)26-3)6-16(23)14-9-19-18(27-11-28-19)7-13(14)8-20(22)24/h4-5,7,9,20,24H,6,8,10-11H2,1-3H3 SMILES COC1=CC=C2CC(=O)C3=C(C=C4OCOC4=C3)CC(O)N(C)CC2=C1OC MNX internals InChI (mnx) InChI=1/C21H23NO6/c1-22-10-15-12(4-5-17(25-2)21(15)26-3)6-16(23)14-9-19-18(27-11-28-19)7-13(14)8-20(22)24/h4-5,7,9,20,24H,6,8,10-11H2,1-3H3/t20? SMILES (mnx) [CH3:1][N:22]1[CH2:10][C:15]2=[C:12]([CH:4]=[CH:5][C:17]([O:25][CH3:2])=[C:21]2[O:26][CH3:3])[CH2:6][C:16](=[O:23])[C:14]2=[CH:9][C:19]3=[C:18]([CH:7]=[C:13]2[CH2:8][CH:20]1[OH:24])[O:27][CH2:11][O:28]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0