input word = C00027957

Metabolite InformationStructural formula
Name Bromosceptrin
Formula C22H23Br3N10O2
Mw 695.95555875
CAS RN 335214-63-6
C_ID C00027957 ,
InChIKey NWEOUKWTIRBPSR-SFLRSMCCNA-N
InChICode InChI=1S/C22H23Br3N10O2/c23-8-1-12(28-3-8)19(36)29-4-9-10(5-30-20(37)13-2-11(24)18(25)33-13)17(15-7-32-22(27)35-15)16(9)14-6-31-21(26)34-14/h1-3,6-7,9-10,16-17,28,33H,4-5H2,(H,29,36)(H,30,37)(H3,26,31,34)(H3,27,32,35)/t9-,10-,16-,17-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H]1c1[nH]c(nc1)N)CNC(=O)c1[nH]c(c(c1)Br)Br)CNC(=O)c1cc(c[nH]1)Br)c1cnc([nH]1)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Asp
Organism
Kingdom Family Species Reference
AnimaliaAgelasidaeAgelas conifera Ref.
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