input word = C00028819

Metabolite InformationStructural formula
Name Petrosamine
Formula C21H17BrN3O2
Mw 422.05041471
CAS RN 113403-19-3
C_ID C00028819 ,
InChIKey ZIWIGKBGIBUCJC-UHFFFAOYSA-N
InChICode InChI=1S/C21H17BrN3O2/c1-24-7-6-12-14(9-24)21(27)20-18-17(16(26)10-25(20,2)3)13-5-4-11(22)8-15(13)23-19(12)18/h4-9H,10H2,1-3H3/q+1
SMILES n1c2c3c(c4c1cc(cc4)Br)C(=O)C[N+](c3c(=O)c1c2ccn(c1)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Petrosia sp. Ref.
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