(+)-maackiain

Properties Image MNX_ID MNXM4889 reference chebi:73030 formula C16H12O5 global charge 0 mol weight 284.267 InChIKey HUKSJTUUSUGIDC-BDJLRTHQSA-N InChI InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1 SMILES OC1=CC2=C(C=C1)[C@H]1OC3=CC4=C(C=C3[C@H]1CO2)OCO4 MNX internals InChI (mnx) InChI=1/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2/t11-,16-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:9]2=[C:12]([CH:3]=[C:8]1[OH:17])[O:18][CH2:6][C@@H:11]1[C:10]3=[CH:4][C:14]4=[C:15]([CH:5]=[C:13]3[O:21][C@H:16]21)[O:20][CH2:7][O:19]4

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0