compound 0287139

Properties Image MNX_ID MNXM1194314 reference envipathM:...14b97d11347b formula C20H18NO7 global charge 1 mol weight 384.364 InChIKey ZOIGYYBXNZDSON-UHFFFAOYSA-O InChI InChI=1S/C20H17NO7/c1-25-19-12-7-21-13(5-11(12)17(23)18(24)20(19)26-2)10-6-15-14(27-8-28-15)3-9(10)4-16(21)22/h3,5-7,16,22-23H,4,8H2,1-2H3/p+1 SMILES COC1=C(OC)C(O)=C(O)C2=CC3=[N+](C=C21)C(O)CC1=CC2=C(C=C13)OCO2 MNX internals InChI (mnx) InChI=1/C20H17NO7/c1-25-19-12-7-21-13(5-11(12)17(23)18(24)20(19)26-2)10-6-15-14(27-8-28-15)3-9(10)4-16(21)22/h3,5-7,16,22-23H,4,8H2,1-2H3/t16? SMILES (mnx) [CH3:1][O:25][C:19]1=[C:20]([O:26][CH3:2])[C:18](=[O:24])[C:17]([OH:23])=[C:11]2[CH:5]=[C:13]3[C:10]4=[CH:6][C:15]5=[C:14]([CH:3]=[C:9]4[CH2:4][CH:16]([OH:22])[N:21]3[CH:7]=[C:12]21)[O:27][CH2:8][O:28]5

Parent-child relations graph

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