input word = C00023565

Metabolite InformationStructural formula
Name Tryptoquivaline M
Formula C28H28N4O7
Mw 532.19579928
CAS RN 69575-59-3
C_ID C00023565 ,
InChIKey HHNRKSWQUGTUBV-BXDOIGFRNA-N
InChICode InChI=1S/C28H28N4O7/c1-14(2)22(38-16(4)33)23-29-19-11-7-5-9-17(19)25(35)30(23)21-13-28(39-26(21)36)18-10-6-8-12-20(18)31-24(34)15(3)32(37)27(28)31/h5-12,14-15,21-22,27,37H,13H2,1-4H3/t15-,21-,22+,27-,28-/m0/s1
SMILES c12c(cccc1)N1[C@H]([C@]32OC(=O)[C@H](C3)n2c(=O)c3c(nc2[C@H](OC(=O)C)C(C)C)cccc3)N([C@H](C1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
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OrganismAspergillus fumigatus
ReferenceTurner,Fungal Metabolites II,Academic Press, (1983),435

Yamazmki,Bull.,26,(1978),111-117