Petasiformin A

Properties Image MNX_ID MNXM107687 reference chebi:66738 formula C14H16O6S global charge 0 mol weight 312.343 InChIKey AVUZOEYGJPUQDM-VMPITWQZSA-N InChI InChI=1S/C14H16O6S/c1-10(2)3-6-12-9-11(5-8-14(15)16)4-7-13(12)20-21(17,18)19/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18,19)/b8-5+ SMILES CC(C)=CCC1=C(OS(=O)(=O)O)C=CC(/C=C/C(=O)O)=C1 MNX internals InChI (mnx) InChI=1/C14H16O6S/c1-10(2)3-6-12-9-11(5-8-14(15)16)4-7-13(12)20-21(17,18)19/h3-5,7-9H,6H2,1-2H3,(H,15,16)(H,17,18,19)/b8-5+ SMILES (mnx) [CH3:1][C:10]([CH3:2])=[CH:3][CH2:6][C:12]1=[C:13]([O:20][S:21]([OH:17])(=[O:18])=[O:19])[CH:7]=[CH:4][C:11](/[CH:5]=[CH:8]/[C:14](=[O:15])[OH:16])=[CH:9]1

Parent-child relations graph

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