input word = C00011276

Metabolite InformationStructural formula
Name 10,20-Dehydro[12,13-dehydroprolyl]-2-(1',1'-dimethylallyltryptophyl)diketopiperazine
Formula C21H21N3O2
Mw 347.16337694
CAS RN
C_ID C00011276 ,
InChIKey VSXXSJJFEXRTPT-LUAWRHEFNA-N
InChICode InChI=1S/C21H21N3O2/c1-21(2)9-11-24-17(20(26)23-10-5-8-16(23)19(24)25)12-14-13-6-3-4-7-15(13)22-18(14)21/h3-4,6-9,11,17,22H,5,10,12H2,1-2H3/b11-9-/t17-/m0/s1
SMILES c12C(C=CN3[C@@H](Cc1c1c([nH]2)cccc1)C(=O)N1C(=CCC1)C3=O)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ustus Ref.
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