input word = C00040264

Metabolite InformationStructural formula
Name Scopularide A
(-)-Scopularide A
Formula C36H57N5O7
Mw 671.42579921
CAS RN 1025008-24-5
C_ID C00040264 ,
InChIKey HQEBGENSMXBRMP-SJMBRRORNA-N
InChICode InChI=1S/C36H57N5O7/c1-8-9-10-12-15-24(6)29-20-30(42)37-21-31(43)41-32(23(4)5)35(46)39-27(18-22(2)3)34(45)38-25(7)33(44)40-28(36(47)48-29)19-26-16-13-11-14-17-26/h11,13-14,16-17,22-25,27-29,32H,8-10,12,15,18-21H2,1-7H3,(H,37,42)(H,38,45)(H,39,46)(H,40,44)(H,41,43)/t24-,25+,27-,28+,29+,32+/m1/s1
SMILES C1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]1[C@H](C)CCCCCC)Cc1ccccc1)C)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Scopulariopsis brevicaulis Ref.
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