input word = C00007814

Metabolite InformationStructural formula
Name 3-Hydroxy-5-(methylthio)pentyl glucosinolate
Formula C13H25NO10S3
Mw 451.06405822
CAS RN
C_ID C00007814 ,
InChIKey DEVGBJBLPJIRTA-PHPNGTLINA-N
InChICode InChI=1S/C13H25NO10S3/c1-25-5-4-7(16)2-3-9(14-24-27(20,21)22)26-13-12(19)11(18)10(17)8(6-15)23-13/h7-8,10-13,15-19H,2-6H2,1H3,(H,20,21,22)/b14-9+/t7-,8-,10-,11+,12+,13+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/CC[C@@H](CCSC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
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