preaspyridone A

Properties Image MNX_ID MNXM147604 reference metacycM:CPD-17150 formula C19H24NO4 global charge -1 mol weight 330.404 InChIKey YMUZLHMCRRJFQV-AVERBVTBSA-M InChI InChI=1S/C19H25NO4/c1-4-11(2)9-12(3)17(22)16-18(23)15(20-19(16)24)10-13-5-7-14(21)8-6-13/h5-8,11-12,15,21,23H,4,9-10H2,1-3H3,(H,20,24)/p-1/t11?,12-,15?/m0/s1 SMILES CCC(C)C[C@H](C)C(=O)C1=C([O-])C(CC2=CC=C(O)C=C2)NC1=O MNX internals InChI (mnx) InChI=1/C19H25NO4/c1-4-11(2)9-12(3)17(22)16-18(23)15(20-19(16)24)10-13-5-7-14(21)8-6-13/h5-8,11-12,15,21,23H,4,9-10H2,1-3H3,(H,20,24)/t11?,12-,15?/m0/s1 SMILES (mnx) [CH3:1][CH2:4][CH:11]([CH3:2])[CH2:9][C@H:12]([CH3:3])[C:17]([C:16]1=[C:18]([OH:23])[CH:15]([CH2:10][C:13]2=[CH:6][CH:8]=[C:14]([OH:21])[CH:7]=[CH:5]2)[N:20]=[C:19]1[OH:24])=[O:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0