globosumone A

Properties Image MNX_ID MNXM105379 reference chebi:68705 formula C13H14O5 global charge 0 mol weight 250.25 InChIKey KIMBFCFJDPSYCZ-ONEGZZNKSA-N InChI InChI=1S/C13H14O5/c1-3-4-9(14)7-18-13(17)12-8(2)5-10(15)6-11(12)16/h3-6,15-16H,7H2,1-2H3/b4-3+ SMILES C/C=C/C(=O)COC(=O)C1=C(C)C=C(O)C=C1O MNX internals InChI (mnx) InChI=1/C13H14O5/c1-3-4-9(14)7-18-13(17)12-8(2)5-10(15)6-11(12)16/h3-6,15-16H,7H2,1-2H3/b4-3+ SMILES (mnx) [CH3:1]/[CH:3]=[CH:4]/[C:9]([CH2:7][O:18][C:13]([C:12]1=[C:11]([OH:16])[CH:6]=[C:10]([OH:15])[CH:5]=[C:8]1[CH3:2])=[O:17])=[O:14]

Parent-child relations graph

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