20-hydroxy-13-14 epoxy-prefusarin

Properties Image MNX_ID MNXM147749 reference metacycM:CPD-18060 formula C22H29NO5 global charge 0 mol weight 387.476 InChIKey JRILNOGTDDRWKP-LXBAPMGGSA-N InChI InChI=1S/C22H29NO5/c1-5-17(13-25)12-15(3)11-14(2)7-6-8-16(4)19(26)22-20(28-22)18(9-10-24)23-21(22)27/h5-8,11-12,18,20,24-25H,9-10,13H2,1-4H3,(H,23,27)/b7-6+,14-11+,15-12+,16-8+,17-5+/t18-,20+,22+/m1/s1 SMILES C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)[C@]12O[C@H]1[C@@H](CCO)NC2=O)CO MNX internals InChI (mnx) InChI=1/C22H29NO5/c1-5-17(13-25)12-15(3)11-14(2)7-6-8-16(4)19(26)22-20(28-22)18(9-10-24)23-21(22)27/h5-8,11-12,18,20,24-25H,9-10,13H2,1-4H3,(H,23,27)/b7-6+,14-11+,15-12+,16-8+,17-5+/t18-,20+,22+/m1/s1 SMILES (mnx) [CH3:1]/[CH:5]=[C:17](\[CH:12]=[C:15]([CH3:3])\[CH:11]=[C:14]([CH3:2])\[CH:7]=[CH:6]\[CH:8]=[C:16](/[CH3:4])[C:19]([C@:22]12[C@H:20]([C@@H:18]([CH2:9][CH2:10][OH:24])[N:23]=[C:21]1[OH:27])[O:28]2)=[O:26])[CH2:13][OH:25]

Parent-child relations graph

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