input word = C00029066

Metabolite InformationStructural formula
Name Sventrin
Formula C12H13Br2N5O
Mw 400.94868587
CAS RN 392315-92-3
C_ID C00029066 ,
InChIKey IYWMIUVWNUKXHQ-NSCUHMNNSA-N
InChICode InChI=1S/C12H13Br2N5O/c1-19-9(5-8(13)10(19)14)11(20)16-4-2-3-7-6-17-12(15)18-7/h2-3,5-6H,4H2,1H3,(H,16,20)(H3,15,17,18)/b3-2+
SMILES c1(c(cc(n1C)C(=O)NC/C=C/c1cnc([nH]1)N)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Asp L-Phe
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas sventres Ref.
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OrganismAgelas sventres
ReferenceAssmann,J.Nat.Prod.,64,(2001),1593