input word = C00047394

Metabolite InformationStructural formula
Name Aspereline A
(-)-Aspereline A
Formula C45H80N10O11
Mw 936.60080347
CAS RN 1169571-12-3
C_ID C00047394 ,
InChIKey TYDXSTUVLGPNBK-DYHPMSITNA-N
InChICode InChI=1S/C45H80N10O11/c1-19-25(4)30(48-35(62)40(7,8)51-32(59)29(24(2)3)47-36(63)42(11,12)53-37(64)43(13,14)49-27(6)57)33(60)52-44(15,16)38(65)54-41(9,10)34(61)46-26(5)31(58)50-45(17,18)39(66)55-22-20-21-28(55)23-56/h24-26,28-30,56H,19-23H2,1-18H3,(H,46,61)(H,47,63)(H,48,62)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)(H,54,65)/t25-,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(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.
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