input word = C00027911

Metabolite InformationStructural formula
Name Axinellamine C
Formula C23H25Br4ClN10O4
Mw 855.84822867
CAS RN 221226-05-7
C_ID C00027911 ,
InChIKey AQAOHVWNFBHMEO-HTCQYKGCNA-N
InChICode InChI=1S/C23H25Br4ClN10O4/c1-42-19-22-12(23(41)18(35-20(29)37-23)38(22)21(30)36-19)6(4-31-16(39)10-2-8(24)14(26)33-10)7(13(22)28)5-32-17(40)11-3-9(25)15(27)34-11/h2-3,6-7,12-13,18-19,33-34,41H,4-5H2,1H3,(H2,30,36)(H,31,39)(H,32,40)(H3,29,35,37)/t6-,7-,12+,13+,18+,19+,22-,23+/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)OC)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