aurachin RE

Properties Image MNX_ID MNXM148955 reference metacycM:CPD-15906 formula C25H33NO3 global charge 0 mol weight 395.543 InChIKey CHMBGHGLJJOOSO-VAKGXLRMSA-N InChI InChI=1S/C25H33NO3/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26(29)24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27,29H,8-9,14,16H2,1-5H3/b18-13+,19-10+ SMILES CC(C)=CC(O)C/C(C)=C/CC/C(C)=C/CC1=C(C)N(O)C2=C(C=CC=C2)C1=O MNX internals InChI (mnx) InChI=1/C25H33NO3/c1-17(2)15-21(27)16-19(4)10-8-9-18(3)13-14-22-20(5)26(29)24-12-7-6-11-23(24)25(22)28/h6-7,10-13,15,21,27,29H,8-9,14,16H2,1-5H3/b18-13+,19-10+/t21? SMILES (mnx) [CH3:1][C:17]([CH3:2])=[CH:15][CH:21]([CH2:16]/[C:19]([CH3:4])=[CH:10]/[CH2:8][CH2:9]/[C:18]([CH3:3])=[CH:13]/[CH2:14][C:22]1=[C:20]([CH3:5])[N:26]([OH:29])[C:24]2=[CH:12][CH:7]=[CH:6][CH:11]=[C:23]2[C:25]1=[O:28])[OH:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0