Spectrum VF-NPL-QEHF005835 for 7-methoxy-8-(3-prop-1-en-2-yloxiran-2-yl)chromen-2-one

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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/C15H14O4/c1-8(2)13-15(19-13)12-10(17-3)6-4-9-5-7-11(16)18-14(9)12/h4-7,13,15H,1H2,2-3H3
C15H14O4
258.089208928
O=C1OC2=C(C=C1)C=CC(OC)=C2C3OC3C(=C)C
YTDNHMHONBWCBV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_372_p08_D05_NEG_QEHF_1820.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.5872944181789213
0.48832379021202293
257.0819396972656
[M-H]-
0.026331159700463305 ppm
6.769265610273578E-6 Da