ajugacumbin A

Properties Image Occurences in reactions MNX_ID MNXM102425 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C27H38O7 charge 0 mass 474.26175 reference chebi:69880 InChIKey TWZAPYCYRPQAOD-PIJHPVSDSA-N InChI InChI=1S/C27H38O7/c1-6-17(2)24(30)32-16-27-21(8-7-10-26(27)15-33-26)25(5,11-9-20-13-23(29)31-14-20)18(3)12-22(27)34-19(4)28/h6,13,18,21-22H,7-12,14-16H2,1-5H3/b17-6+/t18-,21-,22+,25+,26+,27+/m1/s1 SMILES C/C=C(\C)C(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1

Parent-child relations graph

Deprecated MNXref IDs graph