input word = C00027910

Metabolite InformationStructural formula
Name Axinellamine B
Formula C22H23Br4ClN10O4
Mw 841.83257861
CAS RN 221225-34-9
C_ID C00027910 ,
InChIKey NDKURSLTVHZNHX-LXPDKVLRNA-N
InChICode InChI=1S/C22H23Br4ClN10O4/c23-7-1-9(32-13(7)25)15(38)30-3-5-6(4-31-16(39)10-2-8(24)14(26)33-10)12(27)21-11(5)22(41)17(34-19(28)36-22)37(21)20(29)35-18(21)40/h1-2,5-6,11-12,17-18,32-33,40-41H,3-4H2,(H2,29,35)(H,30,38)(H,31,39)(H3,28,34,36)/t5-,6-,11+,12+,17-,18+,21-,22-/m0/s1
SMILES N1=C(N[C@]2([C@@H]1N1[C@]3([C@H]2[C@H]([C@@H]([C@H]3Cl)CNC(=O)c2cc(c([nH]2)Br)Br)CNC(=O)c2[nH]c(c(c2)Br)Br)[C@H](N=C1N)O)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella sp. Ref.
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OrganismAxinella sp.
ReferenceUrban,J.Org.Chem.,64,(1999),731