compound 0076227

Properties Image MNX_ID MNXM1138819 reference envipathM:...c7a854173654 formula C13H15NO6 global charge 0 mol weight 281.264 InChIKey FUYJIUBQZPOHAP-UHFFFAOYSA-N InChI InChI=1S/C13H15NO6/c14-7-3-1-6(2-4-7)5-8-9(15)11(17)13(19)20-12(18)10(8)16/h1-4,8-9,11,15-18H,5,14H2 SMILES NC1=CC=C(CC2C(O)=C(O)OC(=O)C(O)C2O)C=C1 MNX internals InChI (mnx) InChI=1/C13H15NO6/c14-7-3-1-6(2-4-7)5-8-9(15)11(17)13(19)20-12(18)10(8)16/h1-4,8-9,11,15-18H,5,14H2/t8?,9?,11? SMILES (mnx) [CH:1]1=[CH:3][C:7]([NH2:14])=[CH:4][CH:2]=[C:6]1[CH2:5][CH:8]1[CH:9]([OH:15])[CH:11]([OH:17])[C:13](=[O:19])[O:20][C:12]([OH:18])=[C:10]1[OH:16]

Parent-child relations graph

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