Spectrum PM019112 for Glabridin

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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
324.14
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1
LBQIJVLKGVZRIW-ZDUSSCGKSA-N
C20H20O4
324.13615912
OC1=CC=C(C(O)=C1)C2COC3=C4C=CC(OC4=CC=C3C2)(C)C

Mass Spectral Metadata

NameValue
PM019112
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/CH3COOH
QIT
LTQ-XL
35%
ESI
negative
Glycyrrhiza glabra
[M-H]-
MS2
1.4895352006818632
0.9255002564399037
323
[M-H]-
399.0189473684576 ppm
-0.12888312000001179 Da