input word = C00048836

Metabolite InformationStructural formula
Name Pterocellin C
Formula C22H26N2O4
Mw 382.18925733
CAS RN 1000598-23-1
C_ID C00048836 ,
InChIKey AMAJESHGZRCEHZ-UHFFFAOYSA-N
InChICode InChI=1S/C22H26N2O4/c1-13(2)11-17-19-16(9-10-23-17)22(27)20-15(8-6-5-7-14(3)25)21(26)18(28-4)12-24(19)20/h9-10,12-13H,5-8,11H2,1-4H3
SMILES c12c(n3c(C1=O)c(c(=O)c(c3)OC)CCCCC(=O)C)c(ncc2)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate
Organism
Kingdom Family Species Reference
AnimaliaCatenicellidaePterocella vesiculosa Ref.
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