input word = C00005370

Metabolite InformationStructural formula
Name Reynoutrin
Formula C20H18O11
Mw 434.08491142
CAS RN 6743-88-0
C_ID C00005370 ,
InChIKey PZZRDJXEMZMZFD-LJDZMODXNA-N
InChICode InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBegoniaceaeBegonia glaucophylla Ref.
PlantaeErythroxylaceaeErythroxylum spp. Ref.
PlantaeEuphorbiaceaeRicinus communis Ref.
PlantaeGeraniaceaeGeranium niveum Ref.
PlantaeIridaceaePatersonia maxwellii Ref.
PlantaeLythraceaeWoodfordia fruticosa Ref.
PlantaePolygalaceaeSecuridaca diversifolia Ref.
PlantaePolygonaceaeReynoutria japonoca Ref.
PlantaeRosaceaeRosa multiflora Ref.
PlantaeSaxifragaceaeHeuchera spp. Ref.
PlantaeSaxifragaceaeLeptarrhena pyrolifolia Ref.
PlantaeSaxifragaceaeSaxifraga ferruginea Ref.
PlantaeSolanaceaeSolanum spp. Ref.
PlantaeVelloziaceaeAylthonia riedeliana Ref.
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