input word = C00059966

Metabolite InformationStructural formula
Name 1(beta),4-Di-O-galloylglucose
Formula C20H20O14
Mw 484.08530535
CAS RN 145274-69-7
C_ID C00059966
InChIKey SHIFRHHJGRQKNK-ZHYXJZIWSA-N
InChICode InChI=1S/C20H20O14/c21-5-12-17(33-18(30)6-1-8(22)13(26)9(23)2-6)15(28)16(29)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16-,17-,20+/m1/s1
SMILES O=C(OC1OC(CO)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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