(+)-Hirusten-12-oic acid

Properties Image MNX_ID MNXM30114 reference chebi:179837 formula C15H20O5 global charge 0 mol weight 280.32 InChIKey LCFUOWBIHPHLEN-BLYYJXBTSA-N InChI InChI=1S/C15H20O5/c1-7-10(16)11-15(19-11)5-8-4-13(2,20-12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1 SMILES C=C1[C@@H](O)[C@H]2O[C@]23C[C@H]2C[C@](C)(OC(=O)O)C[C@H]2[C@]13C MNX internals InChI (mnx) InChI=1/C15H20O5/c1-7-10(16)11-15(19-11)5-8-4-13(2,20-12(17)18)6-9(8)14(7,15)3/h8-11,16H,1,4-6H2,2-3H3,(H,17,18)/t8-,9-,10-,11-,13+,14+,15-/m1/s1 SMILES (mnx) [CH2:1]=[C:7]1[C@@H:10]([OH:16])[C@@H:11]2[C@@:15]3([CH2:5][C@H:8]4[CH2:4][C@:13]([CH3:2])([O:20][C:12](=[O:17])[OH:18])[CH2:6][C@H:9]4[C@:14]13[CH3:3])[O:19]2

Parent-child relations graph

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