input word = C00045648

Metabolite InformationStructural formula
Name Aplysamine 2
Formula C23H28Br3N3O4
Mw 646.9629951
CAS RN 172486-24-7
C_ID C00045648 ,
InChIKey RCOAHKXJTMBQLI-VFCFBJKWSA-N
InChICode InChI=1S/C23H28Br3N3O4/c1-29(2)9-4-10-33-22-18(25)12-16(13-19(22)26)7-8-27-23(30)20(28-31)14-15-5-6-21(32-3)17(24)11-15/h5-6,11-13,31H,4,7-10,14H2,1-3H3,(H,27,30)/b28-20+
SMILES c1(c(cc(cc1Br)CCNC(=O)/C(=N/O)/Cc1ccc(c(c1)Br)OC)Br)OCCCN(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Psammaplysilla purpurea Ref.
--Suberea sp. Ref.
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OrganismPsammaplysilla purpurea
ReferenceVenkateswarlu,J.Nat.Prod.,62,(1999),893