input word = C00055013

Metabolite InformationStructural formula
Name Chafuroside A
Formula C21H18O9
Mw 414.09508217
CAS RN 720684-57-1
C_ID C00055013
InChIKey DZQBNDGXEFWXEK-ODJUOBDQSA-N
InChICode InChI=1S/C21H18O9/c22-7-14-17(25)19(27)21-20(30-14)16-13(29-21)6-12-15(18(16)26)10(24)5-11(28-12)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-27H,7H2/t14-,17-,19+,20+,21+/m1/s1
SMILES [H][C@]12[C@](O[C@H](CO)[C@@H](O)[C@@H]2O)([H])C3=C(O)C4=C(OC(C5=CC=C(O)C=C5)=CC4=O)C=C3O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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