input word = C00047398

Metabolite InformationStructural formula
Name Aspereline E
(-)-Aspereline E
Formula C45H80N10O12
Mw 952.59571809
CAS RN 1169571-16-7
C_ID C00047398 ,
InChIKey RSDUGRUZONMYBE-YAHZYKIANA-N
InChICode InChI=1S/C45H80N10O12/c1-18-25(4)30(48-35(63)40(6,7)51-32(60)29(24(2)3)47-36(64)42(10,11)53-37(65)43(12,13)49-26(5)58)33(61)52-44(14,15)38(66)54-41(8,9)34(62)46-28(23-57)31(59)50-45(16,17)39(67)55-21-19-20-27(55)22-56/h24-25,27-30,56-57H,18-23H2,1-17H3,(H,46,62)(H,47,64)(H,48,63)(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,65)(H,54,66)/t25-,27-,28-,29-,30-/m0/s1
SMILES N(C(=O)C(NC(=O)C(NC(=O)[C@H]([C@H](CC)C)NC(=O)C(NC(=O)[C@@H](NC(=O)C(NC(=O)C(NC(=O)C)(C)C)(C)C)C(C)C)(C)C)(C)C)(C)C)[C@H](C(=O)NC(C(=O)N1CCC[C@H]1CO)(C)C)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma asperellum Ref.
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