input word = C00055757

Metabolite InformationStructural formula
Name 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 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
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 insigne Ref.
PlantaeEricaceaeRhododendron ponticum Ref.
PlantaeEricaceaeRhododendron smirnowii Ref.
PlantaeEricaceaeRhododendron ungernii Ref.
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