input word = C00051924

Metabolite InformationStructural formula
Name Chaetominine
Formula C22H18N4O4
Mw 402.13280509
CAS RN 918659-56-0
C_ID C00051924
InChIKey
InChICode InChI=1S/C22H18N4O4/c1-12-18(27)26-16-9-5-3-7-14(16)22(30)10-17(20(29)25(12)21(22)26)24-11-23-15-8-4-2-6-13(15)19(24)28/h2-9,11-12,17,21,30H,10H2,1H3/t12-,17+,21-,22-/m0/s1
SMILES c1ccc2c(c1)[C@@]1([C@@H]3N2C(=O)[C@@H](N3C(=O)[C@@H](C1)n1c(=O)c2c(nc1)cccc2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiChaetomiaceaeChaetomium sp. Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
--Chaetominum sp. Ref.
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OrganismAspergillus fumigatus
ReferenceXie, F. et al., Chem. Biodiv., 12, (2015), 1313-1321.