input word = C00027912

Metabolite InformationStructural formula
Name Axinellamine D
Formula C23H25Br4ClN10O4
Mw 855.84822867
CAS RN 221226-07-9
C_ID C00027912 ,
InChIKey AQAOHVWNFBHMEO-XYJOXDCINA-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 CO[C@H]1N=C(N)N2[C@@H]3N=C(N)N[C@]3(O)[C@@H]3[C@@H](CNC(=O)c4cc(Br)c(Br)[nH]4)[C@H](CNC(=O)c4cc(Br)c(Br)[nH]4)[C@@H](Cl)C132
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
AnimaliaAxinellidaeAxinella sp. Ref.
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