input word = C00007821

Metabolite InformationStructural formula
Name 2-(4-Methoxyphenyl)-2,2-dimethylethyl glucosinolate
Formula C18H27NO10S2
Mw 481.10763755
CAS RN
C_ID C00007821 ,
InChIKey BLEMSWXEMRILGL-XAYHRRHWNA-N
InChICode InChI=1S/C18H27NO10S2/c1-18(2,10-4-6-11(27-3)7-5-10)8-13(19-29-31(24,25)26)30-17-16(23)15(22)14(21)12(9-20)28-17/h4-7,12,14-17,20-23H,8-9H2,1-3H3,(H,24,25,26)/b19-13+/t12-,14-,15+,16+,17+/m0/s1
SMILES COc1ccc(C(C)(C)C/C(=N/OS(=O)(=O)O)S[C@H]2OC(CO)[C@H](O)C(O)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeMoringaceaeMoringa peregrina Ref.
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