Metabolite M6

Properties Image MNX_ID MNXM157830 reference chebi:176211 formula C30H42N4O4 global charge 0 mol weight 522.69 InChIKey MKMGKCALCCOODL-GVPWJHIJSA-N InChI InChI=1S/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25-,26+,27-/m1/s1 SMILES CC(C)(C)NC(=O)[C@H]1CNCCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O MNX internals InChI (mnx) InChI=1/C30H42N4O4/c1-30(2,3)33-29(38)25-18-31-13-14-34(25)19-23(35)16-22(15-20-9-5-4-6-10-20)28(37)32-27-24-12-8-7-11-21(24)17-26(27)36/h4-12,22-23,25-27,31,35-36H,13-19H2,1-3H3,(H,32,37)(H,33,38)/t22-,23+,25-,26+,27-/m1/s1 SMILES (mnx) [CH3:1][C:30]([CH3:2])([CH3:3])[N:33]=[C:29]([C@H:25]1[CH2:18][NH:31][CH2:13][CH2:14][N:34]1[CH2:19][C@H:23]([CH2:16][C@@H:22]([CH2:15][C:20]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[C:28](=[N:32][C@@H:27]1[C:24]2=[CH:12][CH:8]=[CH:7][CH:11]=[C:21]2[CH2:17][C@@H:26]1[OH:36])[OH:37])[OH:35])[OH:38]

Parent-child relations graph

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