fischeroside B

Properties Image Occurences in reactions MNX_ID MNXM105142 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C35H44O15 charge 0 mass 704.26802 reference chebi:69816 InChIKey HILKKSGKHWLFAN-QWOHJRRRSA-N InChI InChI=1S/C35H44O15/c1-14-6-23-33(45,29(14)43)11-17(7-19-28-32(4,5)34(28,50-16(3)36)10-15(2)35(19,23)46)12-48-31-27(42)26(41)25(40)22(49-31)13-47-30(44)18-8-20(37)24(39)21(38)9-18/h6-9,15,19,22-23,25-28,31,37-42,45-46H,10-13H2,1-5H3/t15-,19+,22-,23-,25-,26+,27-,28-,31-,33-,34+,35-/m1/s1 SMILES CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO[C@@H]4O[C@H](COC(=O)c5cc(O)c(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C

Parent-child relations graph

Deprecated MNXref IDs graph