input word = C00039918

Metabolite InformationStructural formula
Name Paecilodepsipeptide B
Formula C40H49N5O10
Mw 759.34794282
CAS RN 931423-29-9
C_ID C00039918 ,
InChIKey BRRIQKRUEWKTLZ-OMPZBTSYNA-N
InChICode InChI=1S/C40H49N5O10/c1-24(2)18-19-55-31-16-12-29(13-17-31)21-33(40(53)54)45-37(50)26(4)42-38(51)32(20-28-10-14-30(46)15-11-28)44-35(48)23-41-36(49)25(3)43-39(52)34(47)22-27-8-6-5-7-9-27/h5-18,25-26,32-34,46-47H,19-23H2,1-4H3,(H,41,49)(H,42,51)(H,43,52)(H,44,48)(H,45,50)(H,53,54)/t25-,26+,32+,33+,34-/m0/s1
SMILES CC(C)=CCOc1ccc(C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](O)Cc2ccccc2)C(=O)O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePaecilomyces cinnamoneus BCC9616 Ref.
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