input word = C00040568

Metabolite InformationStructural formula
Name Tubastrindole A
(-)-Tubastrindole A
Formula C28H27BrN8O2
Mw 586.14403507
CAS RN 524067-24-1
C_ID C00040568 ,
InChIKey LVABJUZWHKWSAZ-JNZDSHLINA-N
InChICode InChI=1S/C28H27BrN8O2/c1-34-23(38)27(36(3)25(34)30)12-17-15-7-5-6-8-19(15)33-22(17)28(24(39)35(2)26(31)37(28)4)21(27)18-13-32-20-11-14(29)9-10-16(18)20/h5-11,13,21,30-33H,12H2,1-4H3/b30-25-,31-26-/t21-,27-,28+/m0/s1
SMILES CN1C(=N)N(C)[C@@]2(C1=O)c1[nH]c3ccccc3c1C[C@@]1(C(=O)N(C)C(=N)N1C)[C@@H]2c1c[nH]c2cc(Br)ccc12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Smenospongia cerebriformis Ref.
--Tubastaea sp. Ref.
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