input word = C00028633

Metabolite InformationStructural formula
Name N,N-Didesmethylgrossularine 1
Formula C21H14N6O
Mw 366.12290911
CAS RN 175170-89-5
C_ID C00028633 ,
InChIKey WNDIVVRKTNRQAS-UHFFFAOYSA-N
InChICode InChI=1S/C21H14N6O/c22-21-26-16-15-11-6-2-4-8-14(11)24-20(15)25-18(17(16)27-21)19(28)12-9-23-13-7-3-1-5-10(12)13/h1-9,23H,(H,24,25)(H3,22,26,27)
SMILES c12c([nH]c3c1c1c(c(n3)C(=O)c3c[nH]c4c3cccc4)nc([nH]1)N)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
--Polycarpa aurata Ref.
zoom in