clionastatin B

Properties Image MNX_ID MNXM103919 reference chebi:65645 formula C19H16Cl4O2 global charge 0 mol weight 418.147 InChIKey ZNBLDVJPJJWYKW-QWJXWIJWSA-N InChI InChI=1S/C19H16Cl4O2/c1-18-5-4-10-14(15(18)16(25)12(22)7-18)13(24)6-9-2-3-11(21)17(23)19(9,10)8-20/h2-3,6-7,11,15,17H,4-5,8H2,1H3/t11-,15+,17+,18+,19-/m0/s1 SMILES C[C@@]12C=C(Cl)C(=O)[C@H]1C1=C(CC2)[C@]2(CCl)C(=CC1=O)C=C[C@H](Cl)[C@H]2Cl MNX internals InChI (mnx) InChI=1/C19H16Cl4O2/c1-18-5-4-10-14(15(18)16(25)12(22)7-18)13(24)6-9-2-3-11(21)17(23)19(9,10)8-20/h2-3,6-7,11,15,17H,4-5,8H2,1H3/t11-,15+,17+,18+,19-/m0/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:5][CH2:4][C:10]3=[C:14]([C:13](=[O:24])[CH:6]=[C:9]4[CH:2]=[CH:3][C@H:11]([Cl:21])[C@@H:17]([Cl:23])[C@@:19]43[CH2:8][Cl:20])[C@@H:15]1[C:16](=[O:25])[C:12]([Cl:22])=[CH:7]2

Parent-child relations graph

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