input word = C00048894

Metabolite InformationStructural formula
Name Tubastrindole G
(-)-Tubastrindole G
Formula C28H27N7O3
Mw 509.21753778
CAS RN 1058196-40-9
C_ID C00048894 ,
InChIKey QKJPOADHHFUXBX-WDJQFJCLNA-N
InChICode InChI=1S/C28H27N7O3/c1-32-24(37)28(34(3)25(32)29)21(18-14-30-19-11-7-5-10-16(18)19)27(23(36)33(2)26(38)35(27)4)13-17-15-9-6-8-12-20(15)31-22(17)28/h5-12,14,21,29-31H,13H2,1-4H3/b29-25-/t21-,27+,28-/m1/s1
SMILES c12c(C[C@@]3([C@H]([C@]41N(C(=N)N(C4=O)C)C)c1c4c([nH]c1)cccc4)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