input word = C00010118

Metabolite InformationStructural formula
Name Prunetin 4'-O-glucoside
Prunetrin
Prunitrin
Prunitroside
Trifoside
Formula C22H22O10
Mw 446.12129692
CAS RN 154-36-9
C_ID C00010118 ,
InChIKey OFUWGCQDMVDLIR-RSBVYOOMNA-N
InChICode InChI=1S/C22H22O10/c1-29-12-6-14(24)17-15(7-12)30-9-13(18(17)25)10-2-4-11(5-3-10)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19+,20-,21-,22+/m0/s1
SMILES c1(cc(c2c(c1)occ(c2=O)c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeDalbergia sissoo Ref.
PlantaeFabaceaeSophora japonica Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeFabaceaeTrifolium spp. Ref.
PlantaeRosaceaeCotoneaster simonsii Ref.
PlantaeRosaceaePrunus spp. Ref.
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OrganismDalbergia sissoo
ReferenceFarag,Phytochem.,57,(2001),1263