input word = C00002509

Metabolite InformationStructural formula
Name Betavulgarin
2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
Formula C17H12O6
Mw 312.06338812
CAS RN 51068-94-1
C_ID C00002509 ,
InChIKey NDVRQFZUJRMKKP-UHFFFAOYSA-N
InChICode InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3
SMILES c12c(c(c3c(c1)occ(c3=O)c1c(cccc1)O)OC)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeDianthus spp. Ref.
PlantaeChenopodiaceaeBeta corolliflora Ref.
PlantaeChenopodiaceaeBeta lomatogona Ref.
PlantaeChenopodiaceaeBeta procumbens Ref.
PlantaeChenopodiaceaeBeta trigyna Ref.
PlantaeChenopodiaceaeBeta vulgaris Ref.
PlantaeFabaceaeBaptisia spp. Ref.
PlantaeFabaceaeCicer arietinum Ref.
PlantaeFabaceaeDalbergia spp. Ref.
PlantaeFabaceaeTrifolium spp. Ref.
PlantaeIridaceaeIris tenuifolia Ref.
PlantaeRosaceaeCotoneaster pannosa Ref.
--Cercospora beticola Ref.
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OrganismIris tenuifolia
ReferenceChoudhary,Phytochem.,69,(2008),1880