input word = C00047399

Metabolite InformationStructural formula
Name Aspereline F
(-)-Aspereline F
Formula C46H82N10O11
Mw 950.61645354
CAS RN 1169571-17-8
C_ID C00047399 ,
InChIKey BAAJDOCUARFBOQ-KUUZKDCGNA-N
InChICode InChI=1S/C46H82N10O11/c1-19-26(6)32(50-39(65)43(11,12)53-35(61)31(25(4)5)48-34(60)30(24(2)3)49-38(64)42(9,10)51-28(8)58)36(62)54-45(15,16)40(66)55-44(13,14)37(63)47-27(7)33(59)52-46(17,18)41(67)56-22-20-21-29(56)23-57/h24-27,29-32,57H,19-23H2,1-18H3,(H,47,63)(H,48,60)(H,49,64)(H,50,65)(H,51,58)(H,52,59)(H,53,61)(H,54,62)(H,55,66)/t26-,27-,29-,30-,31-,32-/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@@H](NC(=O)C(NC(=O)C)(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)C
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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