input word = C00002514

Metabolite InformationStructural formula
Name Coumestrol
Cumestrol
3,9-Dihydroxycoumestan
Coumesterol
Formula C15H8O5
Mw 268.03717337
CAS RN 479-13-0
C_ID C00002514 ,
InChIKey ZZIALNLLNHEQPJ-UHFFFAOYSA-N
InChICode InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
SMILES c1(ccc2c(c1)oc(=O)c1c2oc2c1ccc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHominidaeHomo sapiens (Urine) Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeFabaceaeBituminaria morisiana Ref.
PlantaeFabaceaeCullen corylifolium Ref.
PlantaeFabaceaeDolichos biflorus Ref.
PlantaeFabaceaeGlycine canescens Ref.
PlantaeFabaceaeGlycine clandestina Ref.
PlantaeFabaceaeGlycine falcata Ref.
PlantaeFabaceaeGlycine latifolia Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGlycine tabacina Ref.
PlantaeFabaceaeGlycine tomentella Ref.
PlantaeFabaceaeMedicago arabica Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeMedicago spp. Ref.
PlantaeFabaceaeMedicago truncatula Ref.
PlantaeFabaceaeMelilotus alba Ref.
PlantaeFabaceaeMelilotus messanensis Ref.
PlantaeFabaceaePhaseolus coccineus Ref.
PlantaeFabaceaePhaseolus lunatus Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaePhaseolus vulgaris Ref.
PlantaeFabaceaePisum sativum Ref.
PlantaeFabaceaePueraria lobata Ref.
PlantaeFabaceaePueraria mirifica Ref.
PlantaeFabaceaePueraria montana var. lobata Ref.
PlantaeFabaceaeTrifolium fragiferum Ref.
PlantaeFabaceaeTrifolium pratense Ref.
PlantaeFabaceaeTrifolium repens Ref.
PlantaeFabaceaeTrifolium subterraneum Ref.
PlantaeFabaceaeVigna radiata Ref.
PlantaeFabaceaeVigna unguiculata Ref.
PlantaeLythraceaePunica granatum Ref.
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OrganismVigna unguiculata
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter38