input word = C00048679

Metabolite InformationStructural formula
Name Cylindradine B
Formula C11H11Br2N5O3
Mw 418.92286505
CAS RN 1080016-80-3
C_ID C00048679 ,
InChIKey PMIAEKSPKCHUBL-LSQKOFLJNA-N
InChICode InChI=1S/C11H11Br2N5O3/c12-4-3-5(15-8(4)13)6-11(17-10(14)16-6)7(20)2(19)1-18(11)9(3)21/h2,6-7,15,19-20H,1H2,(H3,14,16,17)/t2-,6+,7+,11+/m0/s1
SMILES c12c(C(=O)N3[C@]4([C@@H]1N=C(N4)N)[C@@H]([C@H](C3)O)O)c(c([nH]2)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella cylindratus Ref.
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