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 c1(cc(c(c(c1)OC)O)OC)/C=C/C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
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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OrganismParaburkholderia phymatum
ReferenceLardi, M. et al., Int. J. Mol. Sci., 19, (2018), 1049.