Spectrum VF-NPL-QEHF014259 for 4',5,7-trihydroxy-3,6-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/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
C17H14O7
330.073952788
O=C1C(OC)=C(OC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(O)=CC3
DDNPCXHBFYJXBJ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C4_50_p19_E04_NEG_QEHF_95.raw
58
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.9967046520490492
0.5998236616920237
329.0666809082031
[M-H]-
0.01252087606808327 ppm
4.1202031297871144E-6 Da