input word = C00008866

Metabolite InformationStructural formula
Name (-)-Epicatechin 3-O-gallate
(-)-Epicatechin gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 1257-08-5
C_ID C00008866 ,
InChIKey LSHVYAFMTMFKBA-VCZXBEBONA-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 c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus salviifolius Ref.
PlantaeCombretaceaeCombretum quadrangulare Ref.
PlantaeCrassulaceaeSedum sediforme Ref.
PlantaeCunoniaceaeDavidsonia pruriens Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeFabaceaeAcacia pycnantha Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeHamamelidaceaeHamamelis virginiana Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeMyrtaceaeSyzygium samarangense Ref.
PlantaeOxalidaceaeAverrhoa carambola L. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaePolygonaceaePolygonum hydropiper Ref.
PlantaePolygonaceaeRheum sp. Ref.
PlantaePolygonaceaeRumex nepalensis Ref.
PlantaePolygonaceaeRumex thyrsiflorus Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeVitaceaeAmpelopsis japonica Ref.
PlantaeVitaceaeVitis vinifera Ref.
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