input word = C00008882

Metabolite InformationStructural formula
Name Gallocatechin 3-O-gallate
Gallocatechin gallate
Formula C22H18O11
Mw 458.08491142
CAS RN 5127-64-0
C_ID C00008882 ,
InChIKey WMBWREPUVVBILR-DBHKEIOZNA-N
InChICode InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus incanus Ref.
PlantaeCistaceaeCistus salviifolius Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron Cunningham's white Ref.
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeRhododendron smirnowii Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaePolygonaceaePolygonum panjutinii Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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