stipitatate

Properties Image MNX_ID MNXM92662 reference chebi:77842 formula C8H5O5 global charge -1 mol weight 181.123 InChIKey ANEBWDNUQVPSJT-UHFFFAOYSA-M InChI InChI=1S/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)/p-1 SMILES O=C([O-])C1=CC(O)=CC(=O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13) SMILES (mnx) [CH:1]1=[C:4]([C:8](=[O:12])[OH:13])[CH:2]=[C:6]([OH:10])[C:7](=[O:11])[CH:3]=[C:5]1[OH:9]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0