input word = C00057323

Metabolite InformationStructural formula
Name Piceatannol 3,4'-diglucoside
Formula C26H32O14
Mw 568.17920573
CAS RN 282736-93-0
C_ID C00057323
InChIKey UWGYRKQDXBYOFK-VUNDNAJOSA-N
InChICode InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1+/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1
SMILES O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=CC=C(/C=C/C3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=C3)C=C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum undulatum Ref.
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OrganismRheum undulatum
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 1161A (ir)