Spectrum VF-NPL-QEHF013344 for Genistein

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
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
C15H10O5
270.05282342
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
TZBJGXHYKVUXJN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C3_79_p04_G10_POS_QEHF_103.raw
33
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.0837853813933265
0.5105389638016038
271.0600891113281
[M+H]+
2.5983488538126687 ppm
-7.043086718567793E-4 Da