input word = C00008821

Metabolite InformationStructural formula
Name ent-Gallocatechin 4'-methyl ether
Formula C16H16O7
Mw 320.08960287
CAS RN 139687-23-3
C_ID C00008821 ,
InChIKey ITDYPNOEEHONAH-UYWMCZCJNA-N
InChICode InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15+/m1/s1
SMILES c1(cc(c2c(c1)O[C@H]([C@@H](C2)O)c1cc(c(c(c1)O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia trachypus Ref.
PlantaePandaceaePanda oleosa Ref.
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