input word = C00048892

Metabolite InformationStructural formula
Name Tubastrindole E
(+)-Tubastrindole E
Formula C28H27N7O4
Mw 525.2124524
CAS RN 1058196-16-9
C_ID C00048892 ,
InChIKey TXOZJCCISCZFLO-VOLMHUTHNA-N
InChICode InChI=1S/C28H26BrN7O4/c1-33-24(39)28(35(3)25(33)30)20(16-12-31-18-11-13(29)9-10-14(16)18)27(23(38)34(2)26(40)36(27)4)21-19(22(28)37)15-7-5-6-8-17(15)32-21/h5-12,20,22,30-32,37H,1-4H3/b30-25-/t20-,22+,27-,28-/m1/s1
SMILES CN1C(=O)N(C)[C@@]2(C1=O)c1[nH]c3ccccc3c1[C@H](O)[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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