12-alpha-hydroxy-3 oxochol-4-enoate

Properties Image Occurences in reactions MNX_ID MNXM26720 #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0 formula C24H35O4 charge -1 mass 387.25408 reference metacycM:CPD-20995 InChIKey BGHDKUPKUZDVRW-QUPGBHKMSA-M InChI InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h12,14,17-21,26H,4-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1 SMILES C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph