input word = C00046336

Metabolite InformationStructural formula
Name Purpuramine J
Formula C23H28Br3N3O5
Mw 662.95790973
CAS RN 478487-88-6
C_ID C00046336 ,
InChIKey FRLHXVVWMAEBOU-VFCFBJKWSA-N
InChICode InChI=1S/C23H28Br3N3O5/c1-29(2,32)9-4-10-34-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(33-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+
SMILES N(=O)(CCCOc1c(cc(cc1Br)CCNC(=O)/C(=N\O)/Cc1ccc(c(c1)Br)OC)Br)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
--Druinella sp. Ref.
zoom in