input word = C00007862

Metabolite InformationStructural formula
Name 4,5,6,7-Tetrahydroxydecyl glucosinolate
Formula C16H31NO13S2
Mw 509.12368155
CAS RN
C_ID C00007862 ,
InChIKey DDVKYTJDDMNVLP-WPVOYTAWNA-N
InChICode InChI=1S/C16H31NO13S2/c1-2-7(19)11(21)12(22)8(20)4-3-5-10(17-30-32(26,27)28)31-16-15(25)14(24)13(23)9(6-18)29-16/h7-9,11-16,18-25H,2-6H2,1H3,(H,26,27,28)/b17-10+/t7-,8-,9-,11-,12+,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)/CCC[C@@H]([C@H]([C@H]([C@H](CC)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCapparis grandis Ref.
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