input word = C00043458

Metabolite InformationStructural formula
Name Discorhabdin B
(+)-Discorhabdin B
Formula C18H12BrN3O2S
Mw 412.98336028
CAS RN 115439-61-7
C_ID C00043458 ,
InChIKey SVKKMXJIWIOCJC-OEZBURKONA-N
InChICode InChI=1S/C18H12BrN3O2S/c19-8-4-18-5-11(25-10(18)3-9(8)23)22-16-13(18)14-12-7(1-2-20-14)6-21-15(12)17(16)24/h3-4,6,11,21-22H,1-2,5H2/t11-,18-/m0/s1
SMILES C12=C([C@]34C[C@@H](N1)SC4=CC(=O)C(=C3)Br)C1=NCCc3c1c(C2=O)[nH]c3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Latrunculia brevis Ref.
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OrganismLatrunculia brevis
ReferenceReyes,J.Nat.Prod.,67,(2004),463