6,7-O,O-dimethyl-N-deacetylisoipecoside aglycon

Properties Image Occurences in reactions MNX_ID MNXM114462 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C21H28NO6 charge 1 mass 390.19111 reference metacycM:CPD-14814 InChIKey JVBKAPXWUUWPPX-UBIBAOAHSA-O InChI InChI=1S/C21H27NO6/c1-5-13-15(16(20(23)27-4)11-28-21(13)24)9-17-14-10-19(26-3)18(25-2)8-12(14)6-7-22-17/h5,8,10-11,13,15,17,21-22,24H,1,6-7,9H2,2-4H3/p+1/t13-,15+,17+,21-/m1/s1 SMILES C=C[C@@H]1[C@H](C[C@@H]2[NH2+]CCc3cc(OC)c(OC)cc32)C(C(=O)OC)=CO[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph