globosumone B

Properties Image MNX_ID MNXM105380 reference chebi:68706 formula C13H16O6 global charge 0 mol weight 268.265 InChIKey XPROBYNUZWGFGY-QMMMGPOBSA-N InChI InChI=1S/C13H16O6/c1-7-3-9(15)5-11(17)12(7)13(18)19-6-10(16)4-8(2)14/h3,5,8,14-15,17H,4,6H2,1-2H3/t8-/m0/s1 SMILES CC1=C(C(=O)OCC(=O)C[C@H](C)O)C(O)=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C13H16O6/c1-7-3-9(15)5-11(17)12(7)13(18)19-6-10(16)4-8(2)14/h3,5,8,14-15,17H,4,6H2,1-2H3/t8-/m0/s1 SMILES (mnx) [CH3:1][C:7]1=[CH:3][C:9]([OH:15])=[CH:5][C:11]([OH:17])=[C:12]1[C:13](=[O:18])[O:19][CH2:6][C:10]([CH2:4][C@H:8]([CH3:2])[OH:14])=[O:16]

Parent-child relations graph

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