input word = C00045747

Metabolite InformationStructural formula
Name Certonardoside F
Formula C39H68O17S
Mw 840.41772148
CAS RN 476437-82-8
C_ID C00045747 ,
InChIKey SBUYWVKFMQFUOY-MZUZNNJBNA-N
InChICode InChI=1S/C39H68O17S/c1-18(2)23(53-36-33(30(44)25(16-40)54-36)55-35-32(51-7)31(45)26(50-6)17-52-35)9-8-19(3)20-14-22(42)34-37(20,4)13-11-27-38(5)12-10-21(41)29(43)28(38)24(15-39(27,34)46)56-57(47,48)49/h18-36,40-46H,8-17H2,1-7H3,(H,47,48,49)/t19-,20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30+,31+,32-,33+,34-,35+,36+,37-,38-,39+/m1/s1
SMILES CO[C@H]1[C@H](O[C@H]2[C@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@@H](OS(=O)(=O)O)C[C@]34O)C(C)C)O[C@H](CO)[C@@H]2O)OC[C@@H](OC)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Certonardoa semiregularis Ref.
zoom in