input word = C00011211

Metabolite InformationStructural formula
Name Elymoclavine-O-beta-fructofuranosyl-(2->1)-O-beta-D-ructofuranoside
Formula C28H38N2O11
Mw 578.24756007
CAS RN 121864-94-6
C_ID C00011211 ,
InChIKey NSCOVYKXFRFDBE-CLOIDCHUNA-N
InChICode InChI=1S/C28H38N2O11/c1-30-8-14(5-17-16-3-2-4-18-22(16)15(7-29-18)6-19(17)30)11-38-28(26(37)24(35)21(10-32)41-28)13-39-27(12-33)25(36)23(34)20(9-31)40-27/h2-5,7,17,19-21,23-26,29,31-37H,6,8-13H2,1H3/t17-,19-,20-,21-,23+,24+,25-,26-,27-,28-/m1/s1
SMILES CN1CC(CO[C@]2(CO[C@]3(CO)O[C@H](CO)C(O)[C@H]3O)O[C@H](CO)C(O)[C@H]2O)=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps sp. 88EP Ref.
FungiClavicipitaceaeClaviceps sp. SD58 Ref.
zoom in