citrinalin B

Properties Image Occurences in reactions MNX_ID MNXM103875 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C25H31N3O5 charge 0 mass 453.22637 reference chebi:70404 InChIKey QVBARITWSQCBBV-QBDGMKJCSA-N InChI InChI=1S/C25H31N3O5/c1-22(2)11-16(29)19-17(33-22)8-7-15-20(19)26-21(30)25(15)12-24(28(31)32)13-27-9-5-6-14(27)10-18(24)23(25,3)4/h7-8,14,18H,5-6,9-13H2,1-4H3,(H,26,30)/t14-,18+,24-,25-/m0/s1 SMILES CC1(C)CC(=O)c2c(ccc3c2NC(=O)[C@]32C[C@]3([N+](=O)[O-])CN4CCC[C@H]4C[C@@H]3C2(C)C)O1

Parent-child relations graph

Deprecated MNXref IDs graph