Spectrum PM008217 for Liquiritigenin

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
256.07
InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1
FURUXTVZLHCCNA-AWEZNQCLSA-N
C15H12O4
256.073558864
O=C1C2=CC=C(O)C=C2OC(C3=CC=C(O)C=C3)C1

Mass Spectral Metadata

NameValue
[M+H]+
PM008217
Farag MA, Huhman DV, Lei Z, & Sumner LW
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
Esquire
4.0V
ESI
positive
Medicago truncatula
MS2
0.0
NaN
257.2981
[M+H]+
841.712923647592 ppm
0.21657113599997047 Da