input word = C00007822

Metabolite InformationStructural formula
Name 2-(4-Methoxyphenyl)-2-hydroxyethyl glucosinolate
Formula C16H23NO11S2
Mw 469.07125205
CAS RN
C_ID C00007822 ,
InChIKey IRKKMCNILIZYAG-RXVJARIRNA-N
InChICode InChI=1S/C16H23NO11S2/c1-26-9-4-2-8(3-5-9)10(19)6-12(17-28-30(23,24)25)29-16-15(22)14(21)13(20)11(7-18)27-16/h2-5,10-11,13-16,18-22H,6-7H2,1H3,(H,23,24,25)/b17-12-/t10-,11+,13+,14+,15+,16+/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](c1ccc(cc1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabis amplexicaulis Ref.
PlantaeCruciferaeArabis hirsuta Ref.
PlantaeCruciferaeArabis nipponica Ref.
PlantaeCruciferaeArabis stelleri Ref.
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