input word = C00048893

Metabolite InformationStructural formula
Name Tubastrindole F
(-)-Tubastrindole F
Formula C28H26BrN7O3
Mw 587.12805065
CAS RN 1058196-27-2
C_ID C00048893 ,
InChIKey READFBICLDTTAW-WDJQFJCLNA-N
InChICode InChI=1S/C28H26BrN7O3/c1-33-24(38)28(35(3)25(33)30)21(18-13-31-20-11-14(29)9-10-16(18)20)27(23(37)34(2)26(39)36(27)4)12-17-15-7-5-6-8-19(15)32-22(17)28/h5-11,13,21,30-32H,12H2,1-4H3/b30-25-/t21-,27-,28+/m0/s1
SMILES c12c(C[C@@]3([C@@H]([C@]41N(C(=N)N(C4=O)C)C)c1c4c([nH]c1)cc(cc4)Br)N(C(=O)N(C3=O)C)C)c1c([nH]2)cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Tubastraea aurea Ref.
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OrganismTubastraea aurea
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165