input word = C00026638

Metabolite InformationStructural formula
Name Barettin
Formula C17H19BrN6O2
Mw 418.0752868
CAS RN 104311-70-8
C_ID C00026638 ,
InChIKey YYFNNPXWRXQUPR-RNCGRQDANA-N
InChICode InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1
SMILES c1c(cc2c(c1)c(c[nH]2)/C=C\1/C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeGeodia barretti Ref.
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