input word = C00011296

Metabolite InformationStructural formula
Name Fumitremorgin A
Formula C32H41N3O7
Mw 579.29445069
CAS RN 12626-18-5
C_ID C00011296 ,
InChIKey ACGHJVZDNQZJOV-MUJAYYATNA-N
InChICode InChI=1S/C32H41N3O7/c1-18(2)12-14-40-28-26-21-11-10-20(39-7)16-23(21)34-25(15-19(3)4)41-42-31(5,6)17-24(27(26)34)35-29(36)22-9-8-13-33(22)30(37)32(28,35)38/h10-12,15-16,22,24-25,28,38H,8-9,13-14,17H2,1-7H3/t22-,24-,25+,28-,32+/m0/s1
SMILES COc1ccc2c3c4n(c2c1)[C@@H](C=C(C)C)OOC(C)(C)C[C@@H]4N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@H]3OCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus caespitosus Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
FungiTrichocomaceaePenicillium janthinellum Ref.
FungiTrichocomaceaePenicillium piscarium Ref.
--Neosartaria fischeri Ref.
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