input word = C00044724

Metabolite InformationStructural formula
Name Discorhabdin A
(-)-Discorhabdin A
Formula C18H14BrN3O2S
Mw 414.99901034
CAS RN 907195-65-7
C_ID C00044724 ,
InChIKey IMRWMDAHKYBDMQ-TYCZTAPANA-N
InChICode InChI=1S/C18H14BrN3O2S/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/h4,6,10-11,21-22H,1-3,5H2/t10-,11+,18+/m0/s1
SMILES c12CCN=C3c1c(C(=O)C1=C3[C@@]34C[C@H](N1)S[C@H]4CC(=O)C(=C3)Br)[nH]c2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Strongylodesma algoaensis Ref.
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