input word = C00028582

Metabolite InformationStructural formula
Name Microginin 299B
Formula C45H66Cl2N6O10
Mw 920.42174779
CAS RN 194475-28-0
C_ID C00028582 ,
InChIKey IPQXHBHVRZYMAN-OJJBYMTMNA-N
InChICode InChI=1S/C45H66Cl2N6O10/c1-26(2)37(50-41(58)39(56)32(48)12-9-7-8-10-14-36(46)47)43(60)52(6)38(27(3)4)44(61)51(5)35(25-29-17-21-31(55)22-18-29)42(59)53-23-11-13-34(53)40(57)49-33(45(62)63)24-28-15-19-30(54)20-16-28/h15-22,26-27,32-39,54-56H,7-14,23-25,48H2,1-6H3,(H,49,57)(H,50,58)(H,62,63)/t32-,33-,34-,35-,37-,38-,39-/m0/s1
SMILES C1CC[C@H](N1C(=O)[C@H](Cc1ccc(cc1)O)N(C(=O)[C@@H](N(C)C(=O)[C@@H](NC(=O)[C@H]([C@H](CCCCCCC(Cl)Cl)N)O)C(C)C)C(C)C)C)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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