input word = C00008889

Metabolite InformationStructural formula
Name Epigallocatechin 3,4',-di-O-gallate
Formula C29H22O15
Mw 610.09587004
CAS RN 89013-67-2
C_ID C00008889 ,
InChIKey LPOACLRSLAMIRP-MKNUCDGGNA-N
InChICode InChI=1S/C29H22O15/c30-13-7-15(31)14-9-23(43-28(40)11-3-16(32)24(38)17(33)4-11)26(42-22(14)8-13)10-1-20(36)27(21(37)2-10)44-29(41)12-5-18(34)25(39)19(35)6-12/h1-8,23,26,30-39H,9H2/t23-,26-/m1/s1
SMILES O=C(Oc1c(O)cc([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeTheaceaeThea sinensis Ref.
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OrganismThea sinensis
ReferenceMayer,W.et al.,Annalen,630,(1960),19