input word = C00007803

Metabolite InformationStructural formula
Name 2-Hydroxybenzyl glucosinolate
Formula C14H19NO10S2
Mw 425.0450373
CAS RN
C_ID C00007803 ,
InChIKey PIOITMLHJRSLJC-CEQIJTSBNA-N
InChICode InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-3-1-2-4-8(7)17/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/b15-10+/t9-,11-,12+,13+,14+/m0/s1
SMILES O[C@@H]1[C@H]([C@H]([C@H](O[C@H]1CO)S/C(=N/OS(=O)(=O)O)/Cc1ccccc1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeResedaceaeReseda odorata Ref.
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