input word = C00048082

Metabolite InformationStructural formula
Name Rolloamide B
(-)-Rolloamide B
Formula C40H61N7O8
Mw 767.45816198
CAS RN 1173882-19-3
C_ID C00048082 ,
InChIKey ZJAXEZILCFJWHJ-DDXKJZISNA-N
InChICode InChI=1S/C40H61N7O8/c1-7-24(5)32-38(53)43-29(22-48)35(50)45-33(25(6)8-2)40(55)47-19-13-16-30(47)36(51)41-27(20-23(3)4)34(49)42-28(21-26-14-10-9-11-15-26)39(54)46-18-12-17-31(46)37(52)44-32/h9-11,14-15,23-25,27-33,48H,7-8,12-13,16-22H2,1-6H3,(H,41,51)(H,42,49)(H,43,53)(H,44,52)(H,45,50)/t24-,25-,27-,28-,29-,30-,31+,32-,33-/m0/s1
SMILES [C@H]12N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)CO)[C@H](CC)C)CCC3)CC(C)C)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Eurypon laughlini Ref.
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OrganismEurypon laughlini
ReferenceWilliams,J.Nat.Prod.,72,(2009),1253