Spectrum VF-NPL-QEHF013339 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
C15H10O5
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
270.05282342
O=C1C(=COC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3
TZBJGXHYKVUXJN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C3_79_p04_G10_NEG_QEHF_104.raw
22
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
0.8664912428046924
0.1502155035124663
269.0455322265625
[M-H]-
0.05647162160804815 ppm
-1.5193437491234363E-5 Da