input word = C00006629

Metabolite InformationStructural formula
Name Fragarin
Formula C21H21O10
Mw 433.11347189
CAS RN 574-57-2
C_ID C00006629 ,
InChIKey ABVCUBUIXWJYSE-PNSIFLDANA-O
InChICode InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17+,18+,19-,21-/m1/s1
SMILES OCC1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCallistephus chinensis Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus mas Ref.
PlantaeEricaceaeVaccinium spp. Ref.
PlantaeFabaceaeLathyrus odoratus Ref.
PlantaeFagaceaeFagus sylvatica Ref.
PlantaeMalvaceaeLavatera arborea Ref.
PlantaeMalvaceaeSterculia parviflora Ref.
PlantaeRosaceaeChaenomeles speciosa Ref.
PlantaeRosaceaeCotoneaster spp. Ref.
PlantaeRosaceaeFragaria spp. Ref.
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