Spectrum PM019130 for Glabrol

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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
392.2
InChI=1S/C25H28O4/c1-15(2)5-7-17-13-18(8-11-21(17)26)24-14-23(28)20-10-12-22(27)19(25(20)29-24)9-6-16(3)4/h5-6,8,10-13,24,26-27H,7,9,14H2,1-4H3
CUFAXDWQDQQKFF-UHFFFAOYSA-N
C25H28O4
392.198759376
O=C1C2=CC=C(O)C(=C2OC(C3=CC=C(O)C(=C3)CC=C(C)C)C1)CC=C(C)C

Mass Spectral Metadata

NameValue
PM019130
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
0.6350047569400392
0.5780062388614641
393
[M+H]+
526.0289465648815 ppm
-0.2067293759999984 Da