input word = C00028261

Metabolite InformationStructural formula
Name Exumolide A
Formula C41H55N5O7
Mw 729.41014915
CAS RN 207227-48-3
C_ID C00028261 ,
InChIKey DCVKMHYVPXIXEH-CTMBTUJVNA-N
InChICode InChI=1S/C41H55N5O7/c1-6-26(3)34-37(48)42-30(24-28-16-10-8-11-17-28)36(47)43-31(25-29-18-12-9-13-19-29)38(49)46-23-15-21-33(46)41(52)53-35(27(4)7-2)40(51)45-22-14-20-32(45)39(50)44(34)5/h8-13,16-19,26-27,30-35H,6-7,14-15,20-25H2,1-5H3,(H,42,48)(H,43,47)/t26-,27+,30+,31-,32+,33+,34+,35+/m1/s1
SMILES [C@@H]12N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H]3N(C(=O)[C@@H](OC1=O)[C@@H](C)CC)CCC3)C)[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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