input word = C00009783

Metabolite InformationStructural formula
Name Pachyrrhizin
Neorautone
Formula C19H12O6
Mw 336.06338812
CAS RN 10091-01-7
C_ID C00009783 ,
InChIKey PENSQRMNZZWMGV-UHFFFAOYSA-N
InChICode InChI=1S/C19H12O6/c1-21-16-8-18-17(23-9-24-18)6-12(16)13-5-11-4-10-2-3-22-14(10)7-15(11)25-19(13)20/h2-8H,9H2,1H3
SMILES c12c(cc3c(c1)oc(=O)c(c3)c1c(cc3c(c1)OCO3)OC)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeNeorautanenia amboensis Ref.
PlantaeFabaceaeNeorautanenia edulis Ref.
PlantaeFabaceaeNeorautanenia pseudopachyrrhiza Ref.
PlantaeFabaceaePachyrhizus tuberosus Ref.
PlantaeFabaceaePachyrrhizus erosus Ref.
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OrganismPachyrrhizus erosus
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Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Buckingham(Executive Editor), Dictionary of Natural Products, Chapman & Hall, 1994, Vol1-7

1995, Vol8

1996, Vol9

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1998, Vol11.

PHRUTIVORAPONGKUL, et al., Chem Pharm Bull, 50, (2002), 534

Harborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Van Duuren,J.Org.Chem.,26,(1961),5013

Simonitsch,Monatsh.Chem.,88,(1957),541