Spectrum VF-NPL-QEHF014389 for 6,3'-Dimethoxyflavone

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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/c1-19-12-5-3-4-11(8-12)17-10-15(18)14-9-13(20-2)6-7-16(14)21-17/h3-10H,1-2H3
C17H14O4
282.089208928
O=C1C=C(OC2=CC=C(OC)C=C12)C=3C=CC=C(OC)C3
LLLIKVGWTVPYAL-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
NP_C4_16_p6_G02_POS_QEHF_158.raw
23
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.2123528445578944
0.5210275962647378
283.0964660644531
[M+H]+
2.5180941210264782 ppm
-7.128635468802713E-4 Da