input word = C00040085

Metabolite InformationStructural formula
Name Psammaplin H
Formula C16H22BrN3O5S2
Mw 479.0184252
CAS RN 540466-76-0
C_ID C00040085 ,
InChIKey PSFMBZXVOPCKLJ-MOSHPQCFSA-N
InChICode InChI=1S/C16H22BrN3O5S2/c1-2-25-16(23)19-6-8-27-26-7-5-18-15(22)13(20-24)10-11-3-4-14(21)12(17)9-11/h3-4,9,21,24H,2,5-8,10H2,1H3,(H,18,22)(H,19,23)/b20-13+
SMILES c1c(c(cc(c1)C/C(=N\O)/C(=O)NCCSSCCNC(=O)OCC)Br)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Pseudoceratina purpurea Ref.
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OrganismPseudoceratina purpurea
ReferenceNakao,J.Nat.Prod.,70,(2007),689