caseanigrescen B

Properties Image Occurences in reactions MNX_ID MNXM103547 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C28H40O9 charge 0 mass 520.26723 reference chebi:65589 InChIKey FACSSBRLFWVHQA-OISZFCHFSA-N InChI InChI=1S/C28H40O9/c1-8-10-22(31)36-19-13-20-25(34-17(5)29)37-26(35-18(6)30)28(20)21(14-19)27(7,12-11-15(3)9-2)16(4)23(32)24(28)33/h9,13,16,19,21,23-26,32-33H,2-3,8,10-12,14H2,1,4-7H3/t16-,19+,21+,23-,24+,25+,26-,27-,28-/m1/s1 SMILES C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O

Parent-child relations graph

Deprecated MNXref IDs graph