input word = C00048678

Metabolite InformationStructural formula
Name Cylindradine A
Formula C11H11Br2N5O
Mw 386.93303581
CAS RN 1080016-78-9
C_ID C00048678 ,
InChIKey UNBLRWONXQVSJZ-SMLPMWDWNA-N
InChICode InChI=1S/C11H11Br2N5O/c12-5-4-6(15-8(5)13)7-11(17-10(14)16-7)2-1-3-18(11)9(4)19/h7,15H,1-3H2,(H3,14,16,17)/t7-,11+/m1/s1
SMILES c12c(C(=O)N3[C@]4([C@@H]1N=C(N4)N)CCC3)c(c([nH]2)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cylindratus Ref.
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OrganismAxinella cylindratus
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165