Tirandamycin C

Properties Image MNX_ID MNXM169248 reference chebi:201315 formula C22H29NO5 global charge 0 mol weight 387.476 InChIKey WWRZQUIPJGHZFD-AHGQDJORSA-N InChI InChI=1S/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/t13-,15+,18-,20-,22-/m1/s1 SMILES CC(C=CC(O)=C1C(=O)CNC1=O)=C[C@@H](C)[C@H]1O[C@@]2(C)O[C@H](CC=C2C)[C@@H]1C MNX internals InChI (mnx) InChI=1/C22H29NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10,13,15,18,20,24H,9,11H2,1-5H3,(H,23,26)/b8-6?,12-10?,19-16?/t13-,15+,18-,20-,22-/m1/s1 SMILES (mnx) [CH3:1][C:12]([CH:6]=[CH:8][C:16](=[C:19]1[C:17](=[O:25])[CH2:11][N:23]=[C:21]1[OH:26])[OH:24])=[CH:10][C@@H:13]([CH3:2])[C@@H:20]1[C@@H:15]([CH3:4])[C@H:18]2[CH2:9][CH:7]=[C:14]([CH3:3])[C@:22]([CH3:5])([O:27]2)[O:28]1

Parent-child relations graph

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