input word = C00041293

Metabolite InformationStructural formula
Name 8,9-Dihydrobarettin
Formula C17H21BrN6O2
Mw 420.09093686
CAS RN 672954-16-4
C_ID C00041293 ,
InChIKey HVWYYWIRLPBRTO-UHFFFAOYNA-N
InChICode InChI=1S/C17H21BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,7-8,12,14,22H,1-2,5-6H2,(H,23,26)(H,24,25)(H4,19,20,21)/t12-,14-/m1/s1
SMILES N1[C@@H](C(=O)N[C@@H](C1=O)CCCNC(=N)N)Cc1c[nH]c2c1ccc(c2)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
AnimaliaGeodiidaeGeodia barretti Ref.
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OrganismGeodia barretti
ReferenceHedner,J.Nat.Prod.,69,(2006),1421