input word = C00002716

Metabolite InformationStructural formula
Name Caffeic acid 3-glucoside
Formula C15H18O9
Mw 342.09508217
CAS RN 24959-81-7
C_ID C00002716 ,
InChIKey QOPSZFXPZWQLOG-BLDAGXEJNA-N
InChICode InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14+,15-/m1/s1
SMILES c1(ccc(cc1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C=C/C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaePopulus nigra Ref.
PlantaeSolanaceaeSolanum spp. Ref.
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