input word = C00054559

Metabolite InformationStructural formula
Name 2-O-trans-Caffeoylarbutin
Formula C21H22O10
Mw 434.12129692
CAS RN 230955-36-9
C_ID C00054559
InChIKey SAHZOJQMDIDFST-CTPWMPFQSA-N
InChICode InChI=1S/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+/t16-,18-,19+,20-,21-/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](OC(/C=C/C2=CC=C(O)C(O)=C2)=O)[C@H](OC3=CC=C(O)C=C3)O[C@@H]1CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium vitis-idaea Ref.
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