20-hydroxy-prefusarin

Properties Image MNX_ID MNXM147752 reference metacycM:CPD-18057 formula C22H29NO4 global charge 0 mol weight 371.477 InChIKey BXRAGMDRNOMBQY-FMKUDDBASA-N InChI InChI=1S/C22H29NO4/c1-5-18(14-25)12-16(3)11-15(2)7-6-8-17(4)21(26)20-13-19(9-10-24)23-22(20)27/h5-8,11-13,19,24-25H,9-10,14H2,1-4H3,(H,23,27)/b7-6+,15-11+,16-12+,17-8+,18-5+ SMILES C/C=C(\C=C(C)\C=C(C)\C=C\C=C(/C)C(=O)C1=CC(CCO)NC1=O)CO MNX internals InChI (mnx) InChI=1/C22H29NO4/c1-5-18(14-25)12-16(3)11-15(2)7-6-8-17(4)21(26)20-13-19(9-10-24)23-22(20)27/h5-8,11-13,19,24-25H,9-10,14H2,1-4H3,(H,23,27)/b7-6+,15-11+,16-12+,17-8+,18-5+/t19? SMILES (mnx) [CH3:1]/[CH:5]=[C:18](\[CH:12]=[C:16]([CH3:3])\[CH:11]=[C:15]([CH3:2])\[CH:7]=[CH:6]\[CH:8]=[C:17](/[CH3:4])[C:21]([C:20]1=[CH:13][CH:19]([CH2:9][CH2:10][OH:24])[N:23]=[C:22]1[OH:27])=[O:26])[CH2:14][OH:25]

Parent-child relations graph

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