Spectrum PM019125 for Licochalcone B

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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
286.08
InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+
DRDRYGIIYOPBBZ-XBXARRHUSA-N
C16H14O5
286.084123548
O=C(C=CC1=CC=C(O)C(O)=C1OC)C2=CC=C(O)C=C2

Mass Spectral Metadata

NameValue
PM019125
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
LTQ-XL
35%
ESI
positive
Glycyrrhiza glabra
[M+H]+
MS2
0.8557177702179494
0.5316873447598666
287
[M+H]+
320.8834425086405 ppm
-0.09209354799997982 Da