input word = C00058178

Metabolite InformationStructural formula
Name 1-O-Vanilloyl-beta-D-glucose
Formula C14H18O9
Mw 330.09508217
CAS RN 68985-14-8
C_ID C00058178
InChIKey YROOZUQRTLHXIO-DIACKHNESA-N
InChICode InChI=1S/C14H18O9/c1-21-8-4-6(2-3-7(8)16)13(20)23-14-12(19)11(18)10(17)9(5-15)22-14/h2-4,9-12,14-19H,5H2,1H3/t9-,10-,11+,12-,14+/m1/s1
SMILES COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium quinoa Ref.
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