input word = C00002472

Metabolite InformationStructural formula
Name Aesculin
Esculin
Formula C15H16O9
Mw 340.07943211
CAS RN 531-75-9
C_ID C00002472 ,
InChIKey XHCADAYNFIFUHF-UMNJTXEXNA-N
InChICode InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12+,13+,14-,15-/m1/s1
SMILES c1(c(cc2c(c1)ccc(=O)o2)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFoeniculum vulgare Ref.
PlantaeAsteraceaeCichorium intybus Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeEuphorbiaceaeEuphorbia lathyris Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMelilotus suaveolens Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeMoraceaeFicus septica Ref.
PlantaeMyrtaceaeMyrtus communis Ref.
PlantaeOleaceaeFraxinus bungeana Ref.
PlantaeOleaceaeFraxinus mandshurica Ref.
PlantaeOleaceaeFraxinus ornus Ref.
PlantaeOleaceaeFraxinus paxiana Ref.
PlantaeOleaceaeFraxinus rhynchophylla Ref.
PlantaeOleaceaeFraxinus spp. Ref.
PlantaeOleaceaeFraxinus stylosa Ref.
PlantaeOleaceaeFraxinus szaboana Ref.
PlantaePittosporaceaeBursaria spinosa Ref.
PlantaeRosaceaeCrataegus oxyacantha Ref.
PlantaeRubiaceaeHymenodictyon excelsum Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeSolanaceaeDatura stramonium Ref.
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