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 c12c(C(=O)c3c(C1=O)c(cc(c3)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)cccc2O
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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