input word = C00048895

Metabolite InformationStructural formula
Name Tubastrindole H
(-)-Tubastrindole H
Formula C28H26N6O4
Mw 510.20155336
CAS RN 1058196-83-0
C_ID C00048895 ,
InChIKey MHAYPWZWSGPJAV-WDJQFJCLNA-N
InChICode InChI=1S/C28H26N6O4/c1-31-23(35)27(33(3)25(31)37)13-17-15-9-6-8-12-20(15)30-22(17)28(24(36)32(2)26(38)34(28)4)21(27)18-14-29-19-11-7-5-10-16(18)19/h5-12,14,21,29-30H,13H2,1-4H3/t21-,27+,28-/m1/s1
SMILES c12c(C[C@@]3([C@H]([C@]41N(C(=O)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