S-6-Hydroxywarfarin

Properties Image MNX_ID MNXM1129448 reference chebi:175127 formula C19H16O5 global charge 0 mol weight 324.332 InChIKey IQWPEJBUOJQPDE-AWEZNQCLSA-N InChI InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/t14-/m0/s1 SMILES CC(=O)C[C@@H](C1=CC=CC=C1)C1=C(O)C2=C(C=CC(O)=C2)OC1=O MNX internals InChI (mnx) InChI=1/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3/t14-/m0/s1 SMILES (mnx) [CH3:1][C:11]([CH2:9][C@@H:14]([C:12]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:17]1=[C:18]([OH:22])[C:15]2=[C:16]([CH:8]=[CH:7][C:13]([OH:21])=[CH:10]2)[O:24][C:19]1=[O:23])=[O:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0