input word = C00009353

Metabolite InformationStructural formula
Name Epitheaflagallin 3-O-gallate
Formula C27H20O13
Mw 552.09039073
CAS RN 102067-92-5
C_ID C00009353 ,
InChIKey CMGRMMSVGCHWOK-ZAMLSASONA-N
InChICode InChI=1S/C27H20O13/c28-12-6-14(29)13-8-20(40-27(38)11-4-15(30)22(34)16(31)5-11)26(39-19(13)7-12)10-1-9-2-18(33)24(36)25(37)21(9)23(35)17(32)3-10/h1-7,20,26,28-31,33-34,36-37H,8H2,(H,32,35)/t20-,26-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(=O)c2c(c1)cc(c(c2O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. assamica Ref.
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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