input word = C00028586

Metabolite InformationStructural formula
Name Microginin 99B
Formula C40H57Cl2N5O8
Mw 805.35841925
CAS RN 217644-22-9
C_ID C00028586 ,
InChIKey HMHRNIZGBIMILY-VQQFGYPRNA-N
InChICode InChI=1S/C40H57Cl2N5O8/c1-4-25(2)36(39(53)46(3)33(23-27-15-19-30(49)20-16-27)38(52)47-21-9-11-32(47)40(54)55)45-37(51)31(22-26-13-17-29(48)18-14-26)44-35(50)24-28(43)10-7-5-6-8-12-34(41)42/h13-20,25,28,31-34,36,48-49H,4-12,21-24,43H2,1-3H3,(H,44,50)(H,45,51)(H,54,55)/t25-,28+,31-,32-,33-,36-/m0/s1
SMILES c1cc(ccc1C[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)C)[C@@H](C)CC)NC(=O)C[C@@H](CCCCCCC(Cl)Cl)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-99 Ref.
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