input word = C00047397

Metabolite InformationStructural formula
Name Aspereline D
(-)-Aspereline D
Formula C44H78N10O11
Mw 922.58515341
CAS RN 1169571-15-6
C_ID C00047397 ,
InChIKey ZNXWJXMRXSYRMW-PGZHZMFZNA-N
InChICode InChI=1S/C44H78N10O11/c1-23(2)28(47-35(62)41(11,12)52-36(63)42(13,14)48-26(6)56)31(58)50-39(7,8)34(61)46-29(24(3)4)32(59)51-43(15,16)37(64)53-40(9,10)33(60)45-25(5)30(57)49-44(17,18)38(65)54-21-19-20-27(54)22-55/h23-25,27-29,55H,19-22H2,1-18H3,(H,45,60)(H,46,61)(H,47,62)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H,53,64)/t25-,27-,28-,29-/m0/s1
SMILES N(C(=O)C(NC(=O)C(NC(=O)[C@H](C(C)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)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiHypocreaceaeTrichoderma asperellum Ref.
zoom in