input word = C00028262

Metabolite InformationStructural formula
Name Exumolide B
Formula C40H53N5O7
Mw 715.39449908
CAS RN 207227-49-4
C_ID C00028262 ,
InChIKey DOMOYDOLZYRQTG-FPWAOLAFNA-N
InChICode InChI=1S/C40H53N5O7/c1-5-25(3)33-37(48)41-29(23-27-15-9-7-10-16-27)35(46)42-30(24-28-17-11-8-12-18-28)38(49)45-22-14-20-32(45)40(51)52-34(26(4)6-2)39(50)44-21-13-19-31(44)36(47)43-33/h7-12,15-18,25-26,29-34H,5-6,13-14,19-24H2,1-4H3,(H,41,48)(H,42,46)(H,43,47)/t25-,26-,29-,30-,31+,32+,33+,34+/m1/s1
SMILES [C@@H]12N(C(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](OC1=O)[C@H](C)CC)CCC3)[C@@H](CC)C)Cc1ccccc1)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--AplysiidaeDolabella auricularia Ref.
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