4-hydroxyprotoasukamycin

Properties Image MNX_ID MNXM162739 reference chebi:90902 formula C31H34N2O6 global charge 0 mol weight 530.621 InChIKey RUBKTXQILUKTNG-DWRCUFDSSA-N InChI InChI=1S/C31H34N2O6/c34-25-19-21-31(39,20-11-4-3-10-16-29(38)33-30-26(35)17-18-27(30)36)22-24(25)32-28(37)15-9-2-1-6-12-23-13-7-5-8-14-23/h1-4,6,9-12,15-16,19-23,35,39H,5,7-8,13-14,17-18H2,(H,32,37)(H,33,38)/b2-1+,4-3+,12-6+,15-9+,16-10+,20-11+/t31-/m1/s1 SMILES O=C(/C=C/C=C/C=C/C1CCCCC1)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)C=CC1=O MNX internals InChI (mnx) InChI=1/C31H34N2O6/c34-25-19-21-31(39,20-11-4-3-10-16-29(38)33-30-26(35)17-18-27(30)36)22-24(25)32-28(37)15-9-2-1-6-12-23-13-7-5-8-14-23/h1-4,6,9-12,15-16,19-23,35,39H,5,7-8,13-14,17-18H2,(H,32,37)(H,33,38)/b2-1+,4-3+,12-6+,15-9+,16-10+,20-11+/t31-/m1/s1 SMILES (mnx) [CH:1](=[CH:2]/[CH:9]=[CH:15]/[C:28](=[N:32]/[C:24]1=[CH:22][C@:31](/[CH:20]=[CH:11]/[CH:4]=[CH:3]/[CH:10]=[CH:16]/[C:29](=[N:33]/[C:30]2=[C:26]([OH:35])[CH2:17][CH2:18][C:27]2=[O:36])[OH:38])([OH:39])[CH:21]=[CH:19][C:25]1=[O:34])[OH:37])\[CH:6]=[CH:12]\[CH:23]1[CH2:13][CH2:7][CH2:5][CH2:8][CH2:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0