input word = C00028878

Metabolite InformationStructural formula
Name Pseudostellarin E
Formula C45H67N9O9
Mw 877.5061748
CAS RN 158335-66-1
C_ID C00028878 ,
InChIKey BBGXSHKSWOOZLV-KNANJJRBNA-N
InChICode InChI=1S/C45H67N9O9/c1-7-27(5)37-42(60)47-25-34(55)52-20-12-17-31(52)40(58)49-36(26(3)4)43(61)51-38(28(6)8-2)44(62)48-30(23-29-15-10-9-11-16-29)39(57)46-24-35(56)53-21-14-19-33(53)45(63)54-22-13-18-32(54)41(59)50-37/h9-11,15-16,26-28,30-33,36-38H,7-8,12-14,17-25H2,1-6H3,(H,46,57)(H,47,60)(H,48,62)(H,49,58)(H,50,59)(H,51,61)/t27-,28-,30-,31-,32-,33-,36-,37-,38-/m0/s1
SMILES N12CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC2=O)Cc1ccccc1)[C@H](CC)C)C(C)C)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
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