input word = C00028880

Metabolite InformationStructural formula
Name Pseudostellarin G
Formula C42H56N8O9
Mw 816.41702545
CAS RN 156525-71-2
C_ID C00028880 ,
InChIKey DAMXGJKROOZVCN-MLRZHALZNA-N
InChICode InChI=1S/C42H56N8O9/c1-4-25(2)35-41(58)44-26(3)42(59)50-20-12-18-33(50)39(56)46-30(22-28-15-9-6-10-16-28)37(54)47-31(24-51)38(55)45-29(21-27-13-7-5-8-14-27)36(53)43-23-34(52)49-19-11-17-32(49)40(57)48-35/h5-10,13-16,25-26,29-33,35,51H,4,11-12,17-24H2,1-3H3,(H,43,53)(H,44,58)(H,45,55)(H,46,56)(H,47,54)(H,48,57)/t25-,26-,29-,30-,31-,32-,33-,35-/m0/s1
SMILES [C@@H]12N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)C)CCC3)Cc1ccccc1)CO)Cc1ccccc1)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
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