input word = C00000958

Metabolite InformationStructural formula
Name epi-Gallocatechin 3-O-gallate
Epigallocatechin gallate
(-)-Epigallocatechin gallate
(2R-cis)-3,4-Dihydro-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3-yl ester 3,4,5-trihydroxybenzoic acid
Formula C22H18O11
Mw 458.08491142
CAS RN 989-51-5
C_ID C00000958 ,
InChIKey WMBWREPUVVBILR-PUUMMNGONA-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-/m1/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.
PlantaeCrassulaceaeSedum sediforme Ref.
PlantaeCunoniaceaeDavidsonia pruriens Ref.
PlantaeEricaceaeRhododendron brachycarpum ssp.brachycarpum Ref.
PlantaeEricaceaeRhododendron catawbiense Ref.
PlantaeEricaceaeRhododendron Cunningham's white Ref.
PlantaeEricaceaeRhododendron smirnowii Ref.
PlantaeEricaceaeRhododendron sp. Ref.
PlantaeEricaceaeRhododendron ungernii Ref.
PlantaeEuphorbiaceaeMallotus japonicus Ref.
PlantaeFabaceaeAcacia pycnantha Ref.
PlantaeFabaceaeStryphnodendron adstringens Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeHamamelidaceaeHamamelis virginiana Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLoranthaceaeScurrula atropurpurea Ref.
PlantaeLythraceaePunica granatum Ref.
PlantaeMyricaceaeMyrica esculenta Ref.
PlantaeMyricaceaeMyrica rubra Ref.
PlantaeMyrtaceaeEugenia edulis Ref.
PlantaeMyrtaceaeSyzygium samarangense Ref.
PlantaeOxalidaceaeAverrhoa carambola L. Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaePolygonaceaeEskemukerjea megacarpum HARA Ref.
PlantaeRutaceaeCitrus limon Ref.
PlantaeSapotaceaeSideroxylon inerme L. Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
PlantaeTurneraceaeTurnera ulmifolia Ref.
PlantaeVitaceaeVitis vinifera Ref.
zoom in