input word = C00011281

Metabolite InformationStructural formula
Name Echinuline
Echinulin
Formula C29H39N3O2
Mw 461.30422751
CAS RN 1859-87-6
C_ID C00011281 ,
InChIKey DIKMWTRJIZQJMY-UHFFFAOYNA-N
InChICode InChI=1S/C29H39N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h9-11,14-15,19,24,32H,1,12-13,16H2,2-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
SMILES c1(c2c(cc(c1)CC=C(C)C)c(c([nH]2)C(C)(C)C=C)C[C@@H]1NC(=O)[C@@H](NC1=O)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus variecolor Ref.
FungiTrichocomaceaeEurotium amstelodami Ref.
FungiTrichocomaceaeEurotium chevalieri Ref.
FungiTrichocomaceaeEurotium echinulatum Ref.
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OrganismAspergillus variecolor
ReferenceWang,J.Nat.Prod.,70,(2007),1558