input word = C00049853

Metabolite InformationStructural formula
Name Arenarin A
Formula C40H53N7O9
Mw 775.39047634
CAS RN 160701-43-9
C_ID C00049853 ,
InChIKey BYDVADFZVBZMDT-JSSXRHQYNA-N
InChICode InChI=1S/C40H53N7O9/c1-24(2)19-29-39(55)47-18-10-16-33(47)40(56)46-17-9-15-32(46)38(54)42-28(21-26-13-7-4-8-14-26)35(51)44-31(23-49)37(53)45-30(22-48)36(52)41-27(34(50)43-29)20-25-11-5-3-6-12-25/h3-8,11-14,24,27-33,48-49H,9-10,15-23H2,1-2H3,(H,41,52)(H,42,54)(H,43,50)(H,44,51)(H,45,53)/t27-,28-,29-,30-,31-,32-,33-/m0/s1
SMILES C1(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2N(C(=O)[C@@H]3CCCN13)CCC2)CO)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus arenarius NRRL5012 Ref.
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