3-[(2Z,4Z)-5-carbamoyl-3-(dimethylamino)-4-hydroxypenta-2,4-dien-1-yl]-1,8-dihydroxy-4-methylnaphthalene-2-carboxylate

Properties Image MNX_ID MNXM1368577 reference metacycM:CPD-19263 formula C20H21N2O6 global charge -1 mol weight 385.396 InChIKey WKEULRUVMWRJLV-GBUMRVLUSA-M InChI InChI=1S/C20H22N2O6/c1-10-11-5-4-6-14(23)17(11)19(26)18(20(27)28)12(10)7-8-13(22(2)3)15(24)9-16(21)25/h4-6,8-9,23-24,26H,7H2,1-3H3,(H2,21,25)(H,27,28)/p-1/b13-8-,15-9- SMILES CC1=C(C/C=C(C(/O)=C/C(N)=O)\N(C)C)C(C(=O)[O-])=C(O)C2=C1C=CC=C2O MNX internals InChI (mnx) InChI=1/C20H22N2O6/c1-10-11-5-4-6-14(23)17(11)19(26)18(20(27)28)12(10)7-8-13(22(2)3)15(24)9-16(21)25/h4-6,8-9,23-24,26H,7H2,1-3H3,(H2,21,25)(H,27,28)/b13-8-,15-9- SMILES (mnx) [CH3:1][C:10]1=[C:11]2[CH:5]=[CH:4][CH:6]=[C:14]([OH:23])[C:17]2=[C:19]([OH:26])[C:18]([C:20](=[O:27])[OH:28])=[C:12]1[CH2:7]/[CH:8]=[C:13]([C:15](=[CH:9]/[C:16](=[NH:21])[OH:25])/[OH:24])\[N:22]([CH3:2])[CH3:3]

Parent-child relations graph

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