Spectrum VF-NPL-QEHF005846 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
45HCD
MX_C2_372_p08_D05_POS_QEHF_1818.raw
17
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.1291126260523536
0.37930946625452894
259.0964660644531
[M+H]+
2.751344152656017 ppm
-7.128635468802713E-4 Da