AF Toxin II

Properties Image MNX_ID MNXM118848 reference hmdb:HMDB0033504 formula C17H24O6 global charge 0 mol weight 324.373 InChIKey PXZGUAVTZUPRMI-WDGPHVMXSA-N InChI InChI=1S/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+ SMILES CCC(C)C(O)C(=O)OC(/C=C/C=C\C=C\C(=O)O)C1(C)CO1 MNX internals InChI (mnx) InChI=1/C17H24O6/c1-4-12(2)15(20)16(21)23-13(17(3)11-22-17)9-7-5-6-8-10-14(18)19/h5-10,12-13,15,20H,4,11H2,1-3H3,(H,18,19)/b6-5-,9-7+,10-8+/t12?,13?,15?,17? SMILES (mnx) [CH3:1][CH2:4][CH:12]([CH3:2])[CH:15]([C:16](=[O:21])[O:23][CH:13](/[CH:9]=[CH:7]/[CH:5]=[CH:6]\[CH:8]=[CH:10]\[C:14](=[O:18])[OH:19])[C:17]1([CH3:3])[CH2:11][O:22]1)[OH:20]

Parent-child relations graph

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