Spectrum VF-NPL-QEHF014584 for Chrysin Dimethyl Ether

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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/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
C17H14O4
282.089208928
O=C1C=C(OC2=CC(OC)=CC(OC)=C12)C=3C=CC=CC3
JRFZSUMZAUHNSL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C4_8_p5_E09_NEG_QEHF_156.raw
34
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.171251232175813
0.629208428126629
281.0819396972656
[M-H]-
0.02408289062457836 ppm
6.769265610273578E-6 Da