input word = C00029010

Metabolite InformationStructural formula
Name Shermilamine E
Formula C21H20N4O2S
Mw 392.13069664
CAS RN 211311-09-0
C_ID C00029010 ,
InChIKey CPRFPOYNQSHGTH-UHFFFAOYSA-N
InChICode InChI=1S/C21H20N4O2S/c1-25(2,27)10-8-14-18-17-13(12-5-3-4-6-15(12)23-18)7-9-22-19(17)20-21(14)28-11-16(26)24-20/h3-7,9,23H,8,10-11H2,1-2H3,(H,24,26)
SMILES c1c2c3c(nc1)c1c(c(c3[nH]c3c2cccc3)CCN(=O)(C)C)SCC(=O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
AnimaliaClavelinidaeCystodytes vilatinctus Ref.
zoom in