Spectrum PM002106 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
PM002106
Liu R, Ye M, Guo H, Bi K, & Guo DA
Copyright(C) 2012 Plant Science Center, RIKEN
CH3CN/H2O/CH3COOH
QIT
LCQ
30->34%
ESI
negative
Dalbergia odorifera
[M-H]-
MS2
1.3862943611198906
1.0
255
[M-H]-
259.93280000006155 ppm
-0.0662828640000157 Da