input word = C00039448

Metabolite InformationStructural formula
Name Isomotuporin
Formula C40H57N5O10
Mw 767.41054308
CAS RN 923605-40-7
C_ID C00039448 ,
InChIKey GIRIHYQVGVTBIP-OJNAYACTNA-N
InChICode InChI=1S/C40H57N5O10/c1-10-30-37(49)44-34(40(53)54)26(7)36(48)43-33(22(2)3)38(50)41-28(25(6)35(47)42-29(39(51)52)18-19-32(46)45(30)8)17-16-23(4)20-24(5)31(55-9)21-27-14-12-11-13-15-27/h10-17,20,22,24-26,28-29,31,33-34H,18-19,21H2,1-9H3,(H,41,50)(H,42,47)(H,43,48)(H,44,49)(H,51,52)(H,53,54)/b17-16+,23-20+,30-10-/t24-,25+,26-,28-,29+,31-,33-,34+/m0/s1
SMILES C1C(=O)N(/C(=C\C)/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@H](C(=O)N[C@H](C1)C(=O)O)C)/C=C/C(=C/[C@@H]([C@H](Cc1ccccc1)OC)C)/C)C(C)C)C)C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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