Iso-fumonisin B1

Properties Image MNX_ID MNXM126842 reference chebi:216873 formula C34H59NO15 global charge 0 mol weight 721.838 InChIKey IYHQYIAATKLXJR-PYJIQPHKSA-N InChI InChI=1S/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20+,21-,22?,23?,24+,25+,26-,31+,32+/m0/s1 SMILES CCCC[C@@H](C)[C@@H](OC(=O)CC(CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCC[C@@H](O)[C@H](O)[C@H](C)N)OC(=O)CC(CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C34H59NO15/c1-5-6-10-20(3)32(50-30(43)18-23(34(47)48)16-28(40)41)26(49-29(42)17-22(33(45)46)15-27(38)39)14-19(2)13-24(36)11-8-7-9-12-25(37)31(44)21(4)35/h19-26,31-32,36-37,44H,5-18,35H2,1-4H3,(H,38,39)(H,40,41)(H,45,46)(H,47,48)/t19-,20+,21-,22?,23?,24+,25+,26-,31+,32+/m0/s1 SMILES (mnx) [CH3:1][CH2:5][CH2:6][CH2:10][C@@H:20]([CH3:3])[C@H:32]([C@H:26]([CH2:14][C@@H:19]([CH3:2])[CH2:13][C@@H:24]([CH2:11][CH2:8][CH2:7][CH2:9][CH2:12][C@H:25]([C@@H:31]([C@H:21]([CH3:4])[NH2:35])[OH:44])[OH:37])[OH:36])[O:49][C:29]([CH2:17][CH:22]([CH2:15][C:27](=[O:38])[OH:39])[C:33](=[O:45])[OH:46])=[O:42])[O:50][C:30]([CH2:18][CH:23]([CH2:16][C:28](=[O:40])[OH:41])[C:34](=[O:47])[OH:48])=[O:43]

Parent-child relations graph

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