pipercallosine

Properties Image MNX_ID MNXM107998 reference chebi:69685 formula C20H27NO3 global charge 0 mol weight 329.44 InChIKey KXYVTCVLCVPQKR-ONNLMXTPSA-N InChI InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6,8,10-13,16H,3,5,7,9,14-15H2,1-2H3,(H,21,22)/b6-4+,10-8+ SMILES CC(C)CNC(=O)/C=C/C=C/CCCCC1=CC=C2OCOC2=C1 MNX internals InChI (mnx) InChI=1/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h4,6,8,10-13,16H,3,5,7,9,14-15H2,1-2H3,(H,21,22)/b6-4+,10-8+ SMILES (mnx) [CH3:1][CH:16]([CH3:2])[CH2:14]/[N:21]=[C:20](/[CH:10]=[CH:8]/[CH:6]=[CH:4]/[CH2:3][CH2:5][CH2:7][CH2:9][C:17]1=[CH:13][C:19]2=[C:18]([CH:12]=[CH:11]1)[O:23][CH2:15][O:24]2)[OH:22]

Parent-child relations graph

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