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 C[N+](C)([O-])CCc1c2c(c3nccc4c3c1Nc1ccccc1-4)NC(=O)CS2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala IPP
Organism
Kingdom Family Species Reference
AnimaliaClavelinidaeCystodytes vilatinctus Ref.
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OrganismCystodytes vilatinctus
ReferenceDelfourne,Med.Res.Rev.,23,(2003),234