input word = C00011304

Metabolite InformationStructural formula
Name Ditryptophenaline
Formula C42H40N6O4
Mw 692.31110381
CAS RN 64947-43-9
C_ID C00011304 ,
InChIKey IQIGYVQQRKFGLN-ULBPJJFJNA-N
InChICode InChI=1S/C42H40N6O4/c1-45-31(21-25-13-5-3-6-14-25)37(51)47-33(35(45)49)23-41(27-17-9-11-19-29(27)43-39(41)47)42-24-34-36(50)46(2)32(22-26-15-7-4-8-16-26)38(52)48(34)40(42)44-30-20-12-10-18-28(30)42/h3-20,31-34,39-40,43-44H,21-24H2,1-2H3/t31-,32+,33-,34+,39-,40+,41-,42+
SMILES c1c2c(ccc1)N[C@H]1[C@]2(C[C@H]2N1C(=O)[C@H](N(C2=O)C)Cc1ccccc1)[C@@]12c3c(cccc3)N[C@H]1N1[C@@H](C2)C(=O)N([C@H](C1=O)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus flavus Ref.
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