input word = C00029006

Metabolite InformationStructural formula
Name Shermilamine A
Formula C21H17BrN4O2S
Mw 468.02555945
CAS RN 116302-28-4
C_ID C00029006 ,
InChIKey JUNLUWNNIASCON-UHFFFAOYSA-N
InChICode InChI=1S/C21H17BrN4O2S/c1-10(27)23-6-5-14-18-17-13(12-3-2-11(22)8-15(12)25-18)4-7-24-19(17)20-21(14)29-9-16(28)26-20/h2-4,7-8,25H,5-6,9H2,1H3,(H,23,27)(H,26,28)
SMILES c1c2c3c(nc1)c1c(c(c3[nH]c3c2ccc(c3)Br)CCNC(=O)C)SCC(=O)N1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp IPP
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeTrididemnum sp. Ref.
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OrganismTrididemnum sp.
ReferenceCarroll,J.Org.Chem.,54,(1989),4231