input word = C00034206

Metabolite InformationStructural formula
Name (2S)-Sambunigrin
Sambunigrin
(S)-Prunasin
Formula C14H17NO6
Mw 295.10558728
CAS RN 99-19-4
C_ID C00034206 ,
InChIKey ZKSZEJFBGODIJW-ZJJLXXLLNA-N
InChICode InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10-,11-,12+,13-,14-/m1/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1O[C@H](C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeSambucus nigra Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeMyrtaceaeEucalyptus caleyi Ref.
PlantaeMyrtaceaeEucalyptus cylindriflora Ref.
PlantaeMyrtaceaeEucalyptus megacornuta Ref.
PlantaeMyrtaceaeEucalyptus orgadophila Ref.
PlantaePassifloraceaePassiflora edulis Ref.
zoom in



OrganismSambucus nigra
ReferenceD'Abrosca,Phytochem.,58,(2001),1073