input word = C00027016

Metabolite InformationStructural formula
Name Cristatin A
Formula C29H37N3O2
Mw 459.28857745
CAS RN 402943-96-8
C_ID C00027016 ,
InChIKey RERRWNNFPWXUTC-MPEOZYONNA-N
InChICode InChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15-16,19,32H,1,12,14H2,2-8H3,(H,30,34)(H,31,33)/b24-16-/t19-/m0/s1
SMILES C=CC(C)(C)c1[nH]c2c(CC=C(C)C)c(CC=C(C)C)ccc2c1/C=C1NC(=O)[C@H](C)NC1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus penicilloide Ref.
FungiTrichocomaceaeAspergillus restrictus Ref.
PlantaeAcanthaceaeLepidagathis cristata Wild Ref.
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OrganismAspergillus restrictus
ReferenceChen,Chem.Pharm.Bull.,54,(2006),1605