input word = C00028056

Metabolite InformationStructural formula
Name Circumdatin D
Formula C21H19N3O5
Mw 393.13247074
CAS RN 232922-21-3
C_ID C00028056 ,
InChIKey SKCHUVDMAXVDEA-XISACWJONA-N
InChICode InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1
SMILES n12c3c(C(=O)N4[C@H](c1nc1c(c2=O)cc(cc1O)OC)CCC4)cc(cc3)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus ochraceus Ref.
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OrganismAspergillus ochraceus
ReferenceRahbaek,J.Nat.Prod.,62,(1999),904