input word = C00023556

Metabolite InformationStructural formula
Name Deoxytryptoquivaline
Formula C29H30N4O6
Mw 530.21653472
CAS RN 60676-57-5
C_ID C00023556 ,
InChIKey IMOPNDYCCIZBPJ-UHFFFAOYNA-N
InChICode InChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22-,26+,29+/m1/s1
SMILES CC(=O)OC(c1nc2ccccc2c(=O)n1C1CC2(OC1=O)c1ccccc1N1C(=O)C(C)(C)NC12)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus clavatus Ref.
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