input word = C00013592

Metabolite InformationStructural formula
Name 1-O-Sinapoyl-beta-D-glucose
Formula C17H22O10
Mw 386.12129692
CAS RN 14364-09-1
C_ID C00013592 ,
InChIKey XRKBRPFTFKKHEF-DXXRHYKQNA-N
InChICode InChI=1S/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-,17+/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
--Paraburkholderia phymatum Ref.
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