input word = C00016232

Metabolite InformationStructural formula
Name Demethoxyfumitremorgin C
Demetoxyfumitremorgin C
Formula C21H23N3O2
Mw 349.179027
CAS RN 111768-16-2
C_ID C00016232 ,
InChIKey LQXCSIKDOISJTI-CRFFOPCENA-N
InChICode InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1
SMILES c12c(C[C@@H]3N([C@H]1C=C(C)C)C(=O)[C@H]1N(C3=O)CCC1)c1c([nH]2)cccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus fumigatus BM 939 Ref.
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