input word = C00028254

Metabolite InformationStructural formula
Name Erinacean
Formula C8H9N5O3
Mw 223.07053919
CAS RN 161212-38-0
C_ID C00028254 ,
InChIKey RXGSEDHUXCWOJX-UHFFFAOYSA-N
InChICode InChI=1S/C8H9N5O3/c14-4(15)1-2-9-6-5-7(11-3-10-6)13-8(16)12-5/h3H,1-2H2,(H,14,15)(H3,9,10,11,12,13,16)
SMILES O=C(O)CCNc1ncnc2[nH]c(=O)[nH]c12
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Asp
Organism
Kingdom Family Species Reference
AnimaliaIsodictyidaeIsodictya erinacea Ref.
AnimaliaIsodictyidaeIsodictya erinecea Ref.
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OrganismIsodictya erinacea
ReferenceMoon,J.Nat.Prod.,61,(1998),116