aspernidine A

Properties Image MNX_ID MNXM152432 reference chebi:74221 formula C24H33NO4 global charge 0 mol weight 399.531 InChIKey PHOZASLNSDMYGR-VZRGJMDUSA-N InChI InChI=1S/C24H33NO4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-29-23-21(28-5)14-19-20(22(23)26)15-25-24(19)27/h8,10,12,14,26H,6-7,9,11,13,15H2,1-5H3,(H,25,27)/b17-10+,18-12+ SMILES COC1=C(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(O)=C2CNC(=O)C2=C1 MNX internals InChI (mnx) InChI=1/C24H33NO4/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-29-23-21(28-5)14-19-20(22(23)26)15-25-24(19)27/h8,10,12,14,26H,6-7,9,11,13,15H2,1-5H3,(H,25,27)/b17-10+,18-12+ SMILES (mnx) [CH3:1][C:16]([CH3:2])=[CH:8][CH2:6][CH2:9]/[C:17]([CH3:3])=[CH:10]/[CH2:7][CH2:11]/[C:18]([CH3:4])=[CH:12]/[CH2:13][O:29][C:23]1=[C:21]([O:28][CH3:5])[CH:14]=[C:19]2[C:20](=[C:22]1[OH:26])[CH2:15][N:25]=[C:24]2[OH:27]

Parent-child relations graph

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