Spectrum VF-NPL-QEHF014117 for 6-Methoxyflavonol

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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/C16H12O4/c1-19-11-7-8-13-12(9-11)14(17)15(18)16(20-13)10-5-3-2-4-6-10/h2-9,18H,1H3
C16H12O4
268.073558864
O=C1C(O)=C(OC2=CC=C(OC)C=C21)C=3C=CC=CC3
OGURJSOPVFCIOO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C4_22_p22_C02_POS_QEHF_117.raw
13
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.145402063818573
0.560365273017539
291.0627746582031
[M+Na]+
1.9040765262859847 ppm
-5.542057969023517E-4 Da