input word = C00040087

Metabolite InformationStructural formula
Name Psammaplin J
Formula C22H24Br2N4O7S2
Mw 677.94531641
CAS RN 540466-78-2
C_ID C00040087 ,
InChIKey DTWRCMLMLQPVAK-XUIWWLCJNA-N
InChICode InChI=1S/C22H24Br2N4O7S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-36-37(35)8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,29-30,33-34H,5-8,11-12H2,(H,25,31)(H,26,32)/b27-17+,28-18+/t37-/m0/s1
SMILES O=C(NCCSS(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Pseudoceratina purpurea Ref.
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