compound 0099025

Properties Image MNX_ID MNXM1171718 reference envipathM:...bd3ee1ed8d1b formula C14H19O4 global charge -1 mol weight 251.302 InChIKey OJTLMUNMQAQETE-UHFFFAOYSA-M InChI InChI=1S/C14H20O4/c1-8-4-11(9(2)6-13(16)17)14(18)12(5-8)10(3)7-15/h4-5,9-10,15,18H,6-7H2,1-3H3,(H,16,17)/p-1 SMILES CC1=CC(C(C)CO)=C(O)C(C(C)CC(=O)[O-])=C1 MNX internals InChI (mnx) InChI=1/C14H20O4/c1-8-4-11(9(2)6-13(16)17)14(18)12(5-8)10(3)7-15/h4-5,9-10,15,18H,6-7H2,1-3H3,(H,16,17)/t9?,10? SMILES (mnx) [CH3:1][C:8]1=[CH:4][C:11]([CH:9]([CH3:2])[CH2:6][C:13](=[O:16])[OH:17])=[C:14]([OH:18])[C:12]([CH:10]([CH3:3])[CH2:7][OH:15])=[CH:5]1

Parent-child relations graph

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