input word = C00040569

Metabolite InformationStructural formula
Name Tubastrindole B
(-)-Tubastrindole B
Formula C28H28O2
Mw 396.20893014
CAS RN 524067-25-2
C_ID C00040569 ,
InChIKey AMPTWLHXXYAHSB-JNZDSHLINA-N
InChICode InChI=1S/C28H28N8O2/c1-33-23(37)27(35(3)25(33)29)13-17-15-9-6-8-12-20(15)32-22(17)28(24(38)34(2)26(30)36(28)4)21(27)18-14-31-19-11-7-5-10-16(18)19/h5-12,14,21,29-32H,13H2,1-4H3/b29-25-,30-26-/t21-,27-,28+/m0/s1
SMILES c12c(C[C@@]3([C@@H]([C@]41N(C(=N)N(C4=O)C)C)c1c4c([nH]c1)cccc4)N(C(=N)N(C3=O)C)C)c1c([nH]2)cccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Smenospongia cerebriformis Ref.
--Tubastaea sp. Ref.
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