input word = C00043393

Metabolite InformationStructural formula
Name Chrysophanein
Formula C21H20O9
Mw 416.11073224
CAS RN 4839-60-5
C_ID C00043393 ,
InChIKey QKPDYSSHOSPOKH-PYRVMEGKNA-N
InChICode InChI=1S/C21H20O9/c1-8-5-10-15(18(26)14-9(16(10)24)3-2-4-11(14)23)12(6-8)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1
SMILES Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cccc(O)c1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia fistula Ref.
PlantaePicramniaceaePicramnia latifolia Ref.
PlantaePolygonaceaeRheum palmatum Ref.
PlantaePolygonaceaeRumex spp. Ref.
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OrganismRumex spp.
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 2, 88A (ir)