input word = C00051717

Metabolite InformationStructural formula
Name R-Myricanol 5-O-beta-D-glucopyranoside
Formula C34H40O14
Mw 672.24180599
CAS RN 113204-18-5
C_ID C00051717
InChIKey PXTKHOHAJHGCKB-MDGIQTIANA-N
InChICode InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3/t19-,25-,27-,28+,29-,34+/m1/s1
SMILES COc1c2cc(c(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCC[C@@H](O)CCc1ccc(O)c-2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
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