input word = C00007801

Metabolite InformationStructural formula
Name 5-Hexenyl glucosinolate
Formula C13H23NO9S2
Mw 401.0814228
CAS RN 76265-24-2
C_ID C00007801 ,
InChIKey ZCZQFWPILSDOII-JLBVWOJINA-N
InChICode InChI=1S/C13H23NO9S2/c1-2-3-4-5-6-9(14-23-25(19,20)21)24-13-12(18)11(17)10(16)8(7-15)22-13/h2,8,10-13,15-18H,1,3-7H2,(H,19,20,21)/b14-9+/t8-,10+,11-,12-,13-/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=C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeWasabia japonica Ref.
PlantaeBrassicaceaeWasabi japonica Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeRaphanus sativus Ref.
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OrganismArmoracia lapathifolia
ReferenceEttlinger,Recent Adv. Phytochem.,1,(1968),59