Spectrum PM001308 for Biochanin A

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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
284.07
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
WUADCCWRTIWANL-UHFFFAOYSA-N
C16H12O5
284.068473484
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(OC)=CC3

Mass Spectral Metadata

NameValue
PM001308
Piccinelli AL, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QIT
LCQ Deca
15->33%
ESI
positive
Cuban propolis
[M+H]+
MS2
1.791759469228055
1.0
285.4
[M+H]+
1133.6948703573808 ppm
0.32355651599999646 Da