stipitaldehydate

Properties Image MNX_ID MNXM165163 reference metacycM:CPD-18153 formula C9H5O6 global charge -1 mol weight 209.133 InChIKey JYTSRINXSVGLRE-UHFFFAOYSA-M InChI InChI=1S/C9H6O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,8,12-13H,(H,10,11)/p-1 SMILES O=C1C=C([O-])C2=C(C=C1O)C(O)OC2=O MNX internals InChI (mnx) InChI=1/C9H6O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,8,12-13H,(H,10,11)/t8? SMILES (mnx) [CH:1]1=[C:3]2[C:7](=[C:6]([OH:12])[CH:2]=[C:5]([OH:11])[C:4]1=[O:10])[C:9](=[O:14])[O:15][CH:8]2[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0