input word = C00007849

Metabolite InformationStructural formula
Name 5-Oxoheptyl glucosinolate
Gluconorcappasalin
Formula C14H25NO10S2
Mw 431.09198749
CAS RN 20016-82-4
C_ID C00007849 ,
InChIKey LBZRCKIKOXEMOE-CEQIJTSBNA-N
InChICode InChI=1S/C14H25NO10S2/c1-2-8(17)5-3-4-6-10(15-25-27(21,22)23)26-14-13(20)12(19)11(18)9(7-16)24-14/h9,11-14,16,18-20H,2-7H2,1H3,(H,21,22,23)/b15-10+/t9-,11-,12-,13-,14-/m1/s1
SMILES O[C@H]1[C@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N/OS(=O)(=O)O)/CCCCC(=O)CC)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis ferruginea Ref.
PlantaeCapparaceaeCapparis flexuosa Ref.
PlantaeCapparaceaeCapparis ovata Ref.
PlantaeCapparaceaeCapparis salicifolia Ref.
PlantaeCapparaceaeCapparis spinosa Ref.
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OrganismCapparis spinosa
ReferenceDaxenbichler,Phytochem.,30,(1991),2623