input word = C00047371

Metabolite InformationStructural formula
Name 9-Deacetylfumigaclavine C
(+)-9-Deacetylfumigaclavine C
Formula C21H28N2O
Mw 324.22016353
CAS RN 1137244-06-4
C_ID C00047371 ,
InChIKey VCXCXXJJHZVDSD-DFIIHOQNNA-N
InChICode InChI=1S/C21H28N2O/c1-6-21(3,4)20-14-10-16-18(19(24)12(2)11-23(16)5)13-8-7-9-15(22-20)17(13)14/h6-9,12,16,18-19,22,24H,1,10-11H2,2-5H3/t12-,16+,18+,19-/m0/s1
SMILES c1cc2c3c(c1)[C@@H]1[C@@H](Cc3c([nH]2)C(C=C)(C)C)N(C[C@@H]([C@@H]1O)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Ala IPP
Organism
Kingdom Family Species Reference
--Isaria tenuipes BCC12625 Ref.
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