input word = C00048659

Metabolite InformationStructural formula
Name Clavatadine B
Formula C14H19Br2N5O4
Mw 478.98037993
CAS RN 1033617-33-2
C_ID C00048659 ,
InChIKey AAAZGBHLLCPNHK-UHFFFAOYSA-N
InChICode InChI=1S/C14H19Br2N5O4/c15-8-6-9(7(5-10(17)22)11(16)12(8)23)25-14(24)21-4-2-1-3-20-13(18)19/h6,23H,1-5H2,(H2,17,22)(H,21,24)(H4,18,19,20)
SMILES c1(c(cc(c(c1Br)CC(=O)N)OC(=O)NCCCCNC(=N)N)Br)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Suberea clavata Ref.
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OrganismSuberea clavata
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165