input word = C00055757

Metabolite InformationStructural formula
Name Catechin-3-gallate
Catechin gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 20819-16-3
C_ID C00055757
InChIKey LSHVYAFMTMFKBA-CTNGQTDRSA-N
InChICode InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m1/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron brachycarpum ssp.brachycarpum Ref.
PlantaeEricaceaeRhododendron calophytum Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron Cunningham's white Ref.
PlantaeEricaceaeRhododendron degronianum ssp. Heptamerum var. hondoense Ref.
PlantaeEricaceaeRhododendron dichroanthum ssp.scyphocalyx Ref.
PlantaeEricaceaeRhododendron fortunei Ref.
PlantaeEricaceaeRhododendron insigne Ref.
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeRhododendron smirnowii Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeEricaceaeRhododendron ungernii Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeTheaceaeCamellia sinensis Ref.
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OrganismCamellia sinensis
Referencehttps://doi.org/10.1016/j.lwt.2009.03.017