input word = C00047370

Metabolite InformationStructural formula
Name 9-Deacetoxyfumigaclavine C
(-)-9-Deacetoxyfumigaclavine C
Formula C21H28N2
Mw 308.22524891
CAS RN 1137244-08-6
C_ID C00047370 ,
InChIKey GXEMWNLJOIOIIM-REZODAALNA-N
InChICode InChI=1S/C21H28N2/c1-6-21(3,4)20-16-11-18-15(10-13(2)12-23(18)5)14-8-7-9-17(22-20)19(14)16/h6-9,13,15,18,22H,1,10-12H2,2-5H3/t13-,15-,18-/m1/s1
SMILES c1cc2c3c(c1)[C@@H]1[C@@H](Cc3c([nH]2)C(C=C)(C)C)N(C[C@@H](C1)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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