input word = C00007815

Metabolite InformationStructural formula
Name 2-Hydroxypentyl glucosinolate
Formula C12H23NO10S2
Mw 405.07633742
CAS RN
C_ID C00007815 ,
InChIKey XTEJYKQXWYEDHX-SXIYDNCANA-N
InChICode InChI=1S/C12H23NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h6-7,9-12,14-18H,2-5H2,1H3,(H,19,20,21)/b13-8-/t6-,7+,9-,10-,11+,12+/m0/s1
SMILES O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)S/C(=N\OS(=O)(=O)O)/C[C@H](CCC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArmoracia lapathifolia Ref.
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