input word = C00011299

Metabolite InformationStructural formula
Name Verruculogen
Verruculogen TR 1
TR 1 toxin
Formula C27H33N3O7
Mw 511.23185043
CAS RN 12771-72-1
C_ID C00011299 ,
InChIKey LRXYHMMJJCTUMY-QUEBZHCMNA-N
InChICode InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1
SMILES c1c2c(ccc1OC)c1c3n2[C@H](OOC(C[C@@H]3N2[C@@]([C@H]1O)(C(=O)N1[C@H](C2=O)CCC1)O)(C)C)C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus caespitosus Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
FungiTrichocomaceaePenicillium brasilianum Ref.
FungiTrichocomaceaePenicillium estinogenum Ref.
FungiTrichocomaceaePenicillium glandicola Ref.
FungiTrichocomaceaePenicillium janthinellum Ref.
FungiTrichocomaceaePenicillium paraherquei Ref.
FungiTrichocomaceaePenicillium piscarium Ref.
FungiTrichocomaceaePenicillium verruculosum Ref.
--Isaria tenuipes BCC12625 Ref.
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