input word = C00046207

Metabolite InformationStructural formula
Name Nodularin-Har
Formula C42H62N8O10
Mw 838.45889026
CAS RN 286477-88-1
C_ID C00046207 ,
InChIKey YCFHEUGHSRSOFR-RKDFKCCYNA-N
InChICode InChI=1S/C42H62N8O10/c1-8-32-39(55)49-35(41(58)59)27(5)37(53)47-30(16-12-13-21-45-42(43)44)38(54)46-29(26(4)36(52)48-31(40(56)57)19-20-34(51)50(32)6)18-17-24(2)22-25(3)33(60-7)23-28-14-10-9-11-15-28/h8-11,14-15,17-18,22,25-27,29-31,33,35H,12-13,16,19-21,23H2,1-7H3,(H,46,54)(H,47,53)(H,48,52)(H,49,55)(H,56,57)(H,58,59)(H4,43,44,45)/b18-17+,24-22-,32-8+/t25-,26+,27+,29+,30+,31+,33+,35+/m0/s1
SMILES N1(C(=O)CC[C@@H](NC(=O)[C@@H]([C@H](NC(=O)[C@H](NC(=O)[C@@H]([C@@H](NC(=O)/C/1=C\C)C(=O)O)C)CCCCNC(=N)N)/C=C/C(=C\[C@H](C)[C@H](OC)Cc1ccccc1)/C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNodularia sp. PCC7804 Ref.
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