input word = C00042428

Metabolite InformationStructural formula
Name Cyanopeptolin 954
Formula C46H63ClN8O12
Mw 954.42539725
CAS RN 866718-63-0
C_ID C00042428 ,
InChIKey JECPFNPTJNKMMN-BEXIWHJWNA-N
InChICode InChI=1S/C46H63ClN8O12/c1-23(2)19-32-41(61)50-31-15-18-37(59)55(44(31)64)34(21-27-11-9-8-10-12-27)45(65)54(7)33(22-28-13-16-35(57)29(47)20-28)42(62)52-38(24(3)4)46(66)67-25(5)39(43(63)51-32)53-40(60)30(49-26(6)56)14-17-36(48)58/h8-13,16,20,23-25,30-34,37-39,57,59H,14-15,17-19,21-22H2,1-7H3,(H2,48,58)(H,49,56)(H,50,61)(H,51,63)(H,52,62)(H,53,60)/t25-,30+,31-,32+,33+,34-,37-,38-,39+/m1/s1
SMILES CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC2CC[C@@H](O)N(C2=O)[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccc(O)c(Cl)c2)C(=O)NC(C(C)C)C(=O)O[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIVA Cya 43 Ref.
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