input word = C00011301

Metabolite InformationStructural formula
Name TR-2
TR 2 toxin
Verruculogen TR 2
Formula C22H27N3O6
Mw 429.18998562
CAS RN 51177-07-2
C_ID C00011301 ,
InChIKey PIWNJAZCHHBADQ-VWHHWQMJNA-N
InChICode InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22+/m0/s1
SMILES COc1ccc2c3c([nH]c2c1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus Ref.
FungiTrichocomaceaePenicillium brasilianum Ref.
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