input word = C00045694

Metabolite InformationStructural formula
Name Brachystemidine A
(-)-Brachystemidine A
Formula C15H18N2O5
Mw 306.1215717
CAS RN 436807-92-0
C_ID C00045694 ,
InChIKey BPMLAWBYBLOCCU-UHFFFAOYNA-N
InChICode InChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13-,14-/m0/s1
SMILES [C@H]1(N(C(=O)CC1)[C@@H]1C=C(CO1)COC(=O)c1ccc[nH]1)OC
Start Substs in Alk. Biosynthesis (Prediction) 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