Spectrum VF-NPL-QEHF014239 for wogonin

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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/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
C16H12O5
284.068473484
O=C1C=C(OC=2C(OC)=C(O)C=C(O)C12)C=3C=CC=CC3
XLTFNNCXVBYBSX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C4_47_p04_G11_NEG_QEHF_242.raw
18
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.048357266346024
0.36421601890330113
283.0611877441406
[M-H]-
0.03440902457477888 ppm
-9.739859365254233E-6 Da