3-oxo-15-hydroxy-T-muurolol

Properties Image MNX_ID MNXM101875 reference chebi:70468 formula C15H24O3 global charge 0 mol weight 252.354 InChIKey DMNVFCJXYDJOBT-ABHRYQDASA-N InChI InChI=1S/C15H24O3/c1-9(2)11-4-5-15(3,18)13-7-14(17)10(8-16)6-12(11)13/h6,9,11-13,16,18H,4-5,7-8H2,1-3H3/t11-,12-,13-,15-/m0/s1 SMILES CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CC(=O)C(CO)=C[C@@H]12 MNX internals InChI (mnx) InChI=1/C15H24O3/c1-9(2)11-4-5-15(3,18)13-7-14(17)10(8-16)6-12(11)13/h6,9,11-13,16,18H,4-5,7-8H2,1-3H3/t11-,12-,13-,15-/m0/s1 SMILES (mnx) [CH3:1][CH:9]([CH3:2])[C@@H:11]1[CH2:4][CH2:5][C@:15]([CH3:3])([OH:18])[C@H:13]2[CH2:7][C:14](=[O:17])[C:10]([CH2:8][OH:16])=[CH:6][C@@H:12]12

Parent-child relations graph

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