input word = C00028877

Metabolite InformationStructural formula
Name Pseudostellarin D
Formula C36H55N7O8
Mw 713.41121178
CAS RN 158335-65-0
C_ID C00028877 ,
InChIKey NSEYCUULGSQSEC-FMGXBCLLNA-N
InChICode InChI=1S/C36H55N7O8/c1-7-20(4)29-34(49)37-18-27(45)39-25(17-23-12-14-24(44)15-13-23)32(47)38-19-28(46)43-16-10-11-26(43)33(48)40-30(21(5)8-2)35(50)42-31(22(6)9-3)36(51)41-29/h12-15,20-22,25-26,29-31,44H,7-11,16-19H2,1-6H3,(H,37,49)(H,38,47)(H,39,45)(H,40,48)(H,41,51)(H,42,50)/t20-,21-,22+,25+,26+,29+,30+,31-/m1/s1
SMILES C1C(=O)N[C@H](C(=O)NCC(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)[C@@H](CC)C)[C@H](CC)C)[C@@H](CC)C)CCC2)Cc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
zoom in