Spectrum VF-NPL-QEHF005838 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
C15H14O4
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
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_POS_QEHF_1812.raw
16
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.014698647123919
0.689800934998165
281.0784301757812
[M+Na]+
1.952309960213011 ppm
-5.48752218833215E-4 Da