input word = C00051936

Metabolite InformationStructural formula
Name Circumadatin J
Formula C21H19N3O4
Mw 377.13755612
CAS RN
C_ID C00051936
InChIKey
InChICode InChI=1S/C21H19N3O4/c1-27-12-5-7-16-14(10-12)21(26)24-17-8-6-13(28-2)11-15(17)20(25)23-9-3-4-18(23)19(24)22-16/h5-8,10-11,18H,3-4,9H2,1-2H3/t18-/m0/s1
SMILES c1(ccc2c(c1)c(=O)n1c(n2)[C@H]2N(C(=O)c3c1ccc(c3)OC)CCC2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ochraceus Ref.
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OrganismAspergillus ochraceus
ReferenceC.T.Walsh et al.,ACS Chem.Biol.,8,(2013),1366-1382

[Pathway]