Katsuurenyne B

Properties Image MNX_ID MNXM1130941 reference lipidmapsM:LMPK02000056 formula C15H17Br3O2 global charge 0 mol weight 469.011 InChIKey ITLCGHAZRMVNRW-XRCCKWKSSA-N InChI InChI=1S/C15H17Br3O2/c1-3-5-6-7-15(17,18)14-9-13-12(20-14)8-11(19-13)10(16)4-2/h1,5-6,9-13H,4,7-8H2,2H3/b6-5-/t10-,11+,12+,13+/m1/s1 SMILES C#C/C=C\CC(Br)(Br)C1=C[C@@H]2O[C@H]([C@H](Br)CC)C[C@@H]2O1 MNX internals InChI (mnx) InChI=1/C15H17Br3O2/c1-3-5-6-7-15(17,18)14-9-13-12(20-14)8-11(19-13)10(16)4-2/h1,5-6,9-13H,4,7-8H2,2H3/b6-5-/t10-,11+,12+,13+/m1/s1 SMILES (mnx) [CH:1]#[C:3]/[CH:5]=[CH:6]\[CH2:7][C:15]([C:14]1=[CH:9][C@H:13]2[C@H:12]([CH2:8][C@@H:11]([C@@H:10]([CH2:4][CH3:2])[Br:16])[O:19]2)[O:20]1)([Br:17])[Br:18]

Parent-child relations graph

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