raucaffricine

Properties Image Occurences in reactions MNX_ID MNXM732921 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C27H32N2O8 charge 0 mass 512.21587 reference chebi:17400 InChIKey OSJPGOJPRNTSHP-ICYIRATMSA-N InChI InChI=1S/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3/b12-3+/t13-,16-,17-,18+,19?,20+,21-,22+,24+,25+,26-,27+/m0/s1 SMILES C/C=C1\[C@@H]2C[C@H]3C4=Nc5ccccc5[C@]45C[C@@H](C2[C@H]5OC(C)=O)N3[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph