input word = C00040987

Metabolite InformationStructural formula
Name Glabrin D
Formula C36H49N7O10
Mw 739.35409084
CAS RN 226980-47-8
C_ID C00040987 ,
InChIKey HUBKEBDFQLHLMX-NVPGCUHPNA-N
InChICode InChI=1S/C36H49N7O10/c1-20(2)30-34(51)39-24(18-21-9-11-22(44)12-10-21)31(48)37-19-28(45)41-15-3-6-25(41)32(49)38-23(13-14-29(46)47)35(52)43-17-5-8-27(43)36(53)42-16-4-7-26(42)33(50)40-30/h9-12,20,23-27,30,44H,3-8,13-19H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,46,47)/t23-,24-,25-,26-,27-,30-/m0/s1
SMILES C1(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3[C@H](C(=O)N[C@H](C(=O)N4[C@H]1CCC4)CCC(=O)O)CCC3)Cc1ccc(cc1)O)C(C)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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