input word = C00047395

Metabolite InformationStructural formula
Name Aspereline B
(-)-Aspereline B
Formula C44H78N10O11
Mw 922.58515341
CAS RN 1169571-13-4
C_ID C00047395 ,
InChIKey MORKULGKMOXVCQ-BPWXGPFCNA-N
InChICode InChI=1S/C44H78N10O11/c1-18-24(4)30(48-37(63)41(10,11)51-33(59)29(23(2)3)47-36(62)40(8,9)49-31(57)25(5)45-27(7)56)34(60)52-43(14,15)38(64)53-42(12,13)35(61)46-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,56)(H,46,61)(H,47,62)(H,48,63)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24-,25-,26-,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@@H](NC(=O)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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