input word = C00011210

Metabolite InformationStructural formula
Name Elymoclavine-O-beta-fructofuranoside
Formula C22H28N2O6
Mw 416.19473664
CAS RN 121844-72-2
C_ID C00011210 ,
InChIKey JINXBBANMATPBF-CHPXJZPJNA-N
InChICode InChI=1S/C22H28N2O6/c1-24-8-12(10-29-22(11-26)21(28)20(27)18(9-25)30-22)5-15-14-3-2-4-16-19(14)13(7-23-16)6-17(15)24/h2-5,7,15,17-18,20-21,23,25-28H,6,8-11H2,1H3/t15-,17-,18-,20+,21-,22-/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
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
FungiClavicipitaceaeClaviceps sp. 88EP Ref.
FungiClavicipitaceaeClaviceps sp. SD58 Ref.
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