input word = C00045068

Metabolite InformationStructural formula
Name Scytonemin
Formula C36H20N2O4
Mw 544.14230714
CAS RN 152075-98-4
C_ID C00045068 ,
InChIKey CGZKSPLDUIRCIO-UHFFFAOYSA-N
InChICode InChI=1S/C36H20N2O4/c39-21-13-9-19(10-14-21)17-25-33-29(23-5-1-3-7-27(23)37-33)31(35(25)41)32-30-24-6-2-4-8-28(24)38-34(30)26(36(32)42)18-20-11-15-22(40)16-12-20/h1-18,39-40H/b25-17-,26-18+
SMILES c1cc(ccc1/C=C\1/C2=Nc3c(C2=C(C1=O)C1=C2C(=Nc4c2cccc4)/C(=C\c2ccc(cc2)O)/C1=O)cccc3)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaScytonemataceaeScytonema spp. Ref.
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OrganismScytonema spp.
ReferenceTakamatsu,J.Nat.Prod.,66,(2003),605