protoasukamycin

Properties Image MNX_ID MNXM162864 reference chebi:90901 formula C31H34N2O5 global charge 0 mol weight 514.622 InChIKey VBCLNKLOMFDNGC-JMAMMSEDSA-N InChI InChI=1S/C31H34N2O5/c34-26-19-18-24(15-7-2-4-11-17-30(38)33-31-27(35)20-21-28(31)36)22-25(26)32-29(37)16-10-3-1-6-12-23-13-8-5-9-14-23/h1-4,6-7,10-12,15-19,22-23,34-35H,5,8-9,13-14,20-21H2,(H,32,37)(H,33,38)/b3-1+,4-2+,12-6+,15-7+,16-10+,17-11+ SMILES O=C(/C=C/C=C/C=C/C1CCCCC1)NC1=CC(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)=CC=C1O MNX internals InChI (mnx) InChI=1/C31H34N2O5/c34-26-19-18-24(15-7-2-4-11-17-30(38)33-31-27(35)20-21-28(31)36)22-25(26)32-29(37)16-10-3-1-6-12-23-13-8-5-9-14-23/h1-4,6-7,10-12,15-19,22-23,34-35H,5,8-9,13-14,20-21H2,(H,32,37)(H,33,38)/b3-1+,4-2+,12-6+,15-7+,16-10+,17-11+ SMILES (mnx) [CH:1](=[CH:3]/[CH:10]=[CH:16]/[C:29](=[N:32]/[C:25]1=[C:26]([OH:34])[CH:19]=[CH:18][C:24](/[CH:15]=[CH:7]/[CH:2]=[CH:4]/[CH:11]=[CH:17]/[C:30](=[N:33]/[C:31]2=[C:27]([OH:35])[CH2:20][CH2:21][C:28]2=[O:36])[OH:38])=[CH:22]1)[OH:37])\[CH:6]=[CH:12]\[CH:23]1[CH2:13][CH2:8][CH2:5][CH2:9][CH2:14]1

Parent-child relations graph

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