input word = C00048891

Metabolite InformationStructural formula
Name Tubastrindole D
(-)-Tubastrindole D
Formula C28H26BrN7O3
Mw 587.12805065
CAS RN 1058195-62-2
C_ID C00048891 ,
InChIKey WILDJHDKEXXKQZ-WDJQFJCLNA-N
InChICode InChI=1S/C28H26BrN7O3/c1-33-23(37)27(35(3)25(33)30)12-17-15-7-5-6-8-19(15)32-22(17)28(24(38)34(2)26(39)36(28)4)21(27)18-13-31-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-32H,12H2,1-4H3/b30-25-/t21-,27+,28-/m1/s1
SMILES CN1C(=O)N(C)[C@@]2(C1=O)c1[nH]c3ccccc3c1C[C@@]1(C(=O)N(C)C(=N)N1C)C2c1c[nH]c2cc(Br)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Tubastraea aurea Ref.
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