Pelagiomicin A

Properties Image MNX_ID MNXM107613 reference chebi:66728 formula C20H21N3O6 global charge 0 mol weight 399.403 InChIKey SFUOAUKIPVZJLK-QGZVFWFLSA-N InChI InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1 SMILES COC1=CC=C(COC(=O)[C@@H](N)C(C)(C)O)C2=NC3=C(N=C12)C(C(=O)O)=CC=C3 MNX internals InChI (mnx) InChI=1/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])([C@@H:17]([C:19](=[O:26])[O:29][CH2:9][C:10]1=[CH:7][CH:8]=[C:13]([O:28][CH3:3])[C:16]2=[N:23][C:15]3=[C:11]([C:18](=[O:24])[OH:25])[CH:5]=[CH:4][CH:6]=[C:12]3[N:22]=[C:14]12)[NH2:21])[OH:27]

Parent-child relations graph

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