Chloromarmin

Properties Image MNX_ID MNXM120471 reference chebi:189926 formula C19H23ClO4 global charge 0 mol weight 350.842 InChIKey LJKOFXGMGDOURN-JLHYYAGUSA-N InChI InChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+ SMILES C/C(=C\COC1=CC2=C(C=CC(=O)O2)C=C1)CCC(O)C(C)(C)Cl MNX internals InChI (mnx) InChI=1/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+/t17? SMILES (mnx) [CH3:1]/[C:13]([CH2:4][CH2:8][CH:17]([C:19]([CH3:2])([CH3:3])[Cl:20])[OH:21])=[CH:10]\[CH2:11][O:23][C:15]1=[CH:12][C:16]2=[C:14]([CH:5]=[CH:7]1)[CH:6]=[CH:9][C:18](=[O:22])[O:24]2

Parent-child relations graph

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