Spectrum VF-NPL-QEHF000691 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
25HCD
120_95_NEG_QEHF_152.raw
11
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
0.5368344730512202
0.10699711606917547
269.0455627441406
[M-H]-
0.05695741820629366 ppm
1.5324140633765637E-5 Da