input word = C00011172

Metabolite InformationStructural formula
Name trans-p-Sinapoyl beta-D-glucopyranoside
Formula C17H22O10
Mw 386.12129692
CAS RN 117405-52-4
C_ID C00011172 ,
InChIKey KKLWTTVTWMTNBP-NEPHMTMJNA-N
InChICode InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1
SMILES c1(cc(cc(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC)/C=C/C(=O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annum L. Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
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