input word = C00049115

Metabolite InformationStructural formula
Name Aplysinamisine III
Formula C23H25Br4N3O7
Mw 770.84260178
CAS RN 150417-69-9
C_ID C00049115 ,
InChIKey WGLJDQYUOYCSPY-UHFFFAOYNA-N
InChICode InChI=1S/C23H25Br4N3O7/c1-11(31)29-10-17(32)12-6-13(24)19(14(25)7-12)36-5-3-4-28-22(34)16-9-23(37-30-16)8-15(26)20(35-2)18(27)21(23)33/h6-8,17,21,32-33H,3-5,9-10H2,1-2H3,(H,28,34)(H,29,31)/t17-,21+,23+/m0/s1
SMILES C1(=C[C@]2([C@@H](C(=C1OC)Br)O)CC(=NO2)C(=O)NCCCOc1c(cc(cc1Br)[C@@H](O)CNC(=O)C)Br)Br
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaAplysinidaeAplysina cauliformis Ref.
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