input word = C00061508

Metabolite InformationStructural formula
Name Epitheaflavic acid 3-O-gallate
Formula C28H20O14
Mw 580.08530535
CAS RN 34218-97-8
C_ID C00061508
InChIKey RQTWDINIJYBFNS-LVXARBLLSA-N
InChICode InChI=1S/C28H20O14/c29-11-5-15(30)14-8-21(42-28(40)10-3-16(31)23(35)17(32)4-10)26(41-20(14)6-11)13-7-19(34)25(37)22-12(13)1-9(27(38)39)2-18(33)24(22)36/h1-7,21,26,29-32,34-35,37H,8H2,(H,33,36)(H,38,39)/t21-,26-/m0/s1
SMILES O=C(O)c1cc(=O)c(O)c2c(O)c(O)cc(C3Oc4cc(O)cc(O)c4CC3OC(=O)c3cc(O)c(O)c(O)c3)c2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis Ref.
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