input word = C00007857

Metabolite InformationStructural formula
Name n-Propyl glucosinolate
Formula C10H19NO9S2
Mw 361.05012267
CAS RN 119499-36-4
C_ID C00007857 ,
InChIKey WFJBUHOMGSOMHL-VNZKQILNNA-N
InChICode InChI=1S/C10H19NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h5,7-10,12-15H,2-4H2,1H3,(H,16,17,18)/b11-6-/t5-,7-,8+,9+,10+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N\OS(=O)(=O)O)/CCC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis cartilaginea Ref.
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OrganismCapparis cartilaginea
ReferenceKjae,Phytochem.,2,(1965),29