input word = C00045698

Metabolite InformationStructural formula
Name Brachystemidine E
(+)-Brachystemidine E
Formula C14H16N2O6
Mw 308.10083626
CAS RN 436807-96-4
C_ID C00045698 ,
InChIKey FNUUELXEOOURSN-UHFFFAOYNA-N
InChICode InChI=1S/C14H16N2O6/c17-10-6-11(18)16(12(10)19)13-8(3-5-21-13)7-22-14(20)9-2-1-4-15-9/h1-4,10-11,13,15,17-18H,5-7H2/t10-,11+,13+/m1/s1
SMILES O1CC=C([C@H]1N1[C@H](C[C@H](C1=O)O)O)COC(=O)c1ccc[nH]1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeBrachystemma calycinum Ref.
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OrganismBrachystemma calycinum
ReferenceCheng,J.Nat.Prod.,65,(2002),750