compound 0071051

Properties Image MNX_ID MNXM1170695 reference envipathM:...854876c9af97 formula C18H21NO5 global charge 0 mol weight 331.368 InChIKey KAIMPZFULVAXMF-UHFFFAOYSA-N InChI InChI=1S/C18H21NO5/c1-10-8-14(11(2)16(21)15(10)20)24-9-12-6-4-5-7-13(12)17(23-3)18(19)22/h4-8,17,20-21H,9H2,1-3H3,(H2,19,22) SMILES COC(C(N)=O)C1=C(COC2=CC(C)=C(O)C(O)=C2C)C=CC=C1 MNX internals InChI (mnx) InChI=1/C18H21NO5/c1-10-8-14(11(2)16(21)15(10)20)24-9-12-6-4-5-7-13(12)17(23-3)18(19)22/h4-8,17,20-21H,9H2,1-3H3,(H2,19,22)/t17? SMILES (mnx) [CH3:1][C:10]1=[CH:8][C:14]([O:24][CH2:9][C:12]2=[CH:6][CH:4]=[CH:5][CH:7]=[C:13]2[CH:17]([C:18](=[NH:19])[OH:22])[O:23][CH3:3])=[C:11]([CH3:2])[C:16]([OH:21])=[C:15]1[OH:20]

Parent-child relations graph

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