Aurachin B epoxide

Properties Image MNX_ID MNXM148094 reference keggC:C21874 formula C25H33NO3 global charge 0 mol weight 395.543 InChIKey BXVJMAHFHWAYHD-LDADJPATSA-N InChI InChI=1S/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5)23(29-25)16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)27/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+ SMILES CC(C)=CCC/C(C)=C/CCC1(C)OC1CC1=C(O)C(C)=[N+]([O-])C2=C1C=CC=C2 MNX internals InChI (mnx) InChI=1/C25H33NO3/c1-17(2)10-8-11-18(3)12-9-15-25(5)23(29-25)16-21-20-13-6-7-14-22(20)26(28)19(4)24(21)27/h6-7,10,12-14,23,27H,8-9,11,15-16H2,1-5H3/b18-12+/t23?,25? SMILES (mnx) [CH3:1][C:17]([CH3:2])=[CH:10][CH2:8][CH2:11]/[C:18]([CH3:3])=[CH:12]/[CH2:9][CH2:15][C:25]1([CH3:5])[CH:23]([CH2:16][C:21]2=[C:24]([OH:27])[C:19]([CH3:4])=[N+:26]([O-:28])[C:22]3=[CH:14][CH:7]=[CH:6][CH:13]=[C:20]23)[O:29]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0