Spectrum PM001102 for Genistein

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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
270.05
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
TZBJGXHYKVUXJN-UHFFFAOYSA-N
C15H10O5
270.05282342
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
269
[M-H]-
PM001102
Fabre N, Rustan I, de Hoffmann E, & Quetin-Leclercq J
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O/HCOOH
QIT
LCQ
45%
ESI
negative
authentic sample
[M-H]-
MS2
1.3597715951920468
0.6188587225983748
169.32126394048785 ppm
-0.045547419999991234 Da