3-dehydroshikimate

Properties Image MNX_ID MNXM611 reference chebi:16630 formula C7H7O5 global charge -1 mol weight 171.128 InChIKey SLWWJZMPHJJOPH-PHDIDXHHSA-M InChI InChI=1S/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/p-1/t5-,6-/m1/s1 SMILES O=C([O-])C1=CC(=O)[C@@H](O)[C@H](O)C1 MNX internals InChI (mnx) InChI=1/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)/t5-,6-/m1/s1 SMILES (mnx) [CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[CH2:2][C@@H:5]([OH:9])[C@H:6]([OH:10])[C:4]1=[O:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 22 in models (compartimentalized) 8