Fusaridione A

Properties Image MNX_ID MNXM148244 reference chebi:221932 formula C27H31NO4 global charge 0 mol weight 433.548 InChIKey VXYKTSLHEMJALI-ABULEIRLSA-N InChI InChI=1S/C27H31NO4/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-24(30)27(5)25(31)23(28-26(27)32)17-21-11-13-22(29)14-12-21/h6-16,23,29H,17H2,1-5H3,(H,28,32)/b9-7+,15-10+,18-6+,19-8+,20-16+/t23-,27+/m0/s1 SMILES C/C=C(C)/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C1=O MNX internals InChI (mnx) InChI=1/C27H31NO4/c1-6-18(2)16-20(4)9-7-8-19(3)10-15-24(30)27(5)25(31)23(28-26(27)32)17-21-11-13-22(29)14-12-21/h6-16,23,29H,17H2,1-5H3,(H,28,32)/b9-7+,15-10+,18-6+,19-8+,20-16+/t23-,27+/m0/s1 SMILES (mnx) [CH3:1]/[CH:6]=[C:18]([CH3:2])/[CH:16]=[C:20]([CH3:4])/[CH:9]=[CH:7]/[CH:8]=[C:19]([CH3:3])/[CH:10]=[CH:15]/[C:24]([C@:27]1([CH3:5])[C:25](=[O:31])[C@H:23]([CH2:17][C:21]2=[CH:12][CH:14]=[C:22]([OH:29])[CH:13]=[CH:11]2)[N:28]=[C:26]1[OH:32])=[O:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0