input word = C00048605

Metabolite InformationStructural formula
Name Aplysamine 6
Formula C21H23Br3N2O3
Mw 587.92588132
CAS RN 1023754-96-2
C_ID C00048605 ,
InChIKey MZLANVULBFGHHK-GQCTYLIASA-N
InChICode InChI=1S/C21H23Br3N2O3/c1-28-19-5-3-14(11-16(19)22)4-6-20(27)26-9-7-15-12-17(23)21(18(24)13-15)29-10-2-8-25/h3-6,11-13H,2,7-10,25H2,1H3,(H,26,27)/b6-4+
SMILES c1(c(cc(cc1Br)CCNC(=O)/C=C/c1ccc(c(c1)Br)OC)Br)OCCCN
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Pseudoceratina sp. Ref.
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OrganismPseudoceratina sp.
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165