input word = C00002500

Metabolite InformationStructural formula
Name 7-(beta-D-glucopyranosyloxy)-6-methoxycoumarin
Scopolin
Formula C16H18O9
Mw 354.09508217
CAS RN 531-44-2
C_ID C00002500 ,
InChIKey SGTCGCCQZOUMJJ-JXQFOPSLNA-N
InChICode InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
SMILES c1(c(cc2c(c1)ccc(=O)o2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHymenochaetaceaePhellinus igniarius Ref.
PlantaeAnacardiaceaeRhus lanceolata Ref.
PlantaeApocynaceaeNerium odorum Ref.
PlantaeAraliaceaeHedera spp. Ref.
PlantaeAsteraceaeAnthemis spp. Ref.
PlantaeAsteraceaeArtemisia annua Ref.
PlantaeAsteraceaeArtemisia minor Ref.
PlantaeAsteraceaeArtemisia spp. Ref.
PlantaeAsteraceaeHelianthus annuus Ref.
PlantaeConvolvulaceaeErycibe obtusifolia Ref.
PlantaeConvolvulaceaeErycibe schmidtii Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeEuphorbiaceaeMacaranga tanarius Ref.
PlantaeFabaceaeAstragalus brachycarpus Ref.
PlantaeFabaceaeAstragalus falcatus Ref.
PlantaeFabaceaeBaptisia arachnifera Ref.
PlantaeFabaceaeBaptisia bracteata Ref.
PlantaeFabaceaeBaptisia calycosa Ref.
PlantaeFabaceaeBaptisia cinerea Ref.
PlantaeFabaceaeBaptisia lanceolata Ref.
PlantaeFabaceaeBaptisia nuttalliana Ref.
PlantaeFabaceaeBaptisia perfoliata Ref.
PlantaeFabaceaeBaptisia simplicifolia Ref.
PlantaeFabaceaeBaptisia tinctoria Ref.
PlantaeGentianaceaeSwertia spp. Ref.
PlantaeMoraceaeMorus alba L. Ref.
PlantaeRutaceaeMurraya paniculata Ref.
PlantaeSapindaceaeAesculus pavia L. Ref.
PlantaeSolanaceaeMandragora autumnalis Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeScopolia japonica Ref.
PlantaeTrochodendraceae/TetracentraceaeTetracentron sinense Ref.
PlantaeUlmaceaeCeltis spp. Ref.
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OrganismBaptisia simplicifolia
ReferenceMarkham,Phytochem.,9,(1970),2359