input word = C00053146

Metabolite InformationStructural formula
Name Epicatechin gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 863-03-6
C_ID C00053146
InChIKey LSHVYAFMTMFKBA-FPOVZHCZSA-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-/m0/s1
SMILES OC1=CC(O)=C(C[C@H](OC(C2=CC(O)=C(O)C(O)=C2)=O)[C@H](C3=CC=C(O)C(O)=C3)O4)C4=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola crenulata Ref.
PlantaeEricaceaeRhododendron Cunningham's white Ref.
PlantaeEricaceaeRhododendron brachycarpum ssp.brachycarpum Ref.
PlantaeEricaceaeRhododendron calophytum Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron degronianum ssp. Heptamerum var. hondoense Ref.
PlantaeEricaceaeRhododendron dichroanthum ssp.scyphocalyx Ref.
PlantaeEricaceaeRhododendron fortunei Ref.
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeRhododendron praevernum Ref.
PlantaeEricaceaeRhododendron smirnowii Ref.
PlantaeEricaceaeRhododendron ungernii Ref.
PlantaeLythraceaePunica granatum Ref.
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