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 c1c2c3c(cc1)[C@@H]1[C@@H](Cc3c[nH]2)N(CC(=C1)CO[C@]1([C@@H]([C@@H](O)[C@@H](CO)O1)O)CO[C@]1([C@@H]([C@@H](O)[C@@H](CO)O1)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps sp. 88EP Ref.
FungiClavicipitaceaeClaviceps sp. SD58 Ref.
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