(7R,8R)-AGI-B4

Properties Image MNX_ID MNXM101089 reference chebi:68224 formula C16H14O7 global charge 0 mol weight 318.281 InChIKey MPAKYMOQGZITTQ-OQPBUACISA-N InChI InChI=1S/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3/t8-,13+/m1/s1 SMILES COC(=O)[C@@H]1C2=C(C=C[C@H]1O)OC1=C(C2=O)C(O)=CC(CO)=C1 MNX internals InChI (mnx) InChI=1/C16H14O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,8,13,17-19H,6H2,1H3/t8-,13+/m1/s1 SMILES (mnx) [CH3:1][O:22][C:16]([C@H:13]1[C@H:8]([OH:18])[CH:2]=[CH:3][C:10]2=[C:14]1[C:15](=[O:20])[C:12]1=[C:9]([OH:19])[CH:4]=[C:7]([CH2:6][OH:17])[CH:5]=[C:11]1[O:23]2)=[O:21]

Parent-child relations graph

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