input word = C00023562

Metabolite InformationStructural formula
Name Tryptoquivaline I
Formula C27H26N4O6
Mw 502.18523459
CAS RN 66180-23-2
C_ID C00023562 ,
InChIKey YLDPIHLIWYLZID-FOYUBHGXNA-N
InChICode InChI=1S/C27H26N4O6/c1-14(2)20(32)21-28-17-11-7-5-9-15(17)22(33)29(21)19-13-27(37-23(19)34)16-10-6-8-12-18(16)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,19,24,36H,13H2,1-4H3/t19-,24+,27+/m1/s1
SMILES c12c(cccc1)N1[C@H]([C@]32OC(=O)[C@@H](C3)n2c(=O)c3c(nc2C(=O)C(C)C)cccc3)N(C(C)(C1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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