input word = C00023561

Metabolite InformationStructural formula
Name Tryptoquivaline H
Formula C22H18N4O5
Mw 418.12771972
CAS RN 61949-67-5
C_ID C00023561 ,
InChIKey LSEZQEFBFFRCNW-LZXGWVODNA-N
InChICode InChI=1S/C22H18N4O5/c1-12-18(27)25-16-9-5-3-7-14(16)22(21(25)26(12)30)10-17(20(29)31-22)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17-,21-,22-/m0/s1
SMILES c12c(cccc1)N1[C@H]([C@]32OC(=O)[C@H](C3)n2c(=O)c3c(nc2)cccc3)N([C@@H](C)C1=O)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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