input word = C00028876

Metabolite InformationStructural formula
Name Pseudostellarin C
Formula C40H60N8O10
Mw 812.4432402
CAS RN 156430-22-7
C_ID C00028876 ,
InChIKey JQSLAYSQUUVFNU-ORTPQTRONA-N
InChICode InChI=1S/C40H60N8O10/c1-6-22(3)31-37(55)41-20-30(51)44-33(24(5)50)38(56)46-32(23(4)7-2)40(58)48-18-12-16-29(48)36(54)43-27(21-49)39(57)47-17-11-15-28(47)35(53)42-26(34(52)45-31)19-25-13-9-8-10-14-25/h8-10,13-14,22-24,26-29,31-33,49-50H,6-7,11-12,15-21H2,1-5H3,(H,41,55)(H,42,53)(H,43,54)(H,44,51)(H,45,52)(H,46,56)/t22-,23-,24+,26-,27-,28-,29-,31-,32-,33-/m0/s1
SMILES N1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N3[C@H](C(=O)N[C@H](C1=O)Cc1ccccc1)CCC3)CO)CCC2)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
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