input word = C00028306

Metabolite InformationStructural formula
Name Glabrin C
Formula C41H64N8O9
Mw 812.4796257
CAS RN 226980-46-7
C_ID C00028306 ,
InChIKey JVQXCSNXHNUDOP-BQTXRGELNA-N
InChICode InChI=1S/C41H64N8O9/c1-10-23(7)33-39(56)43-25(9)35(52)47-34(24(8)11-2)40(57)46-32(22(5)6)41(58)49-18-12-13-29(49)37(54)42-20-30(51)44-28(19-26-14-16-27(50)17-15-26)36(53)45-31(21(3)4)38(55)48-33/h14-17,21-25,28-29,31-34,50H,10-13,18-20H2,1-9H3,(H,42,54)(H,43,56)(H,44,51)(H,45,53)(H,46,57)(H,47,52)(H,48,55)/t23-,24+,25+,28+,29+,31+,32+,33+,34+/m1/s1
SMILES [C@H]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)C)[C@@H](C)CC)C(C)C)CCC2)Cc1ccc(cc1)O)C(C)C)[C@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona glabra Ref.
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