Spectrum VF-NPL-QEHF004020 for 2',4',6'-Trihydroxydihydrochalcone

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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/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
C15H14O4
258.089208928
O=C(C=1C(O)=CC(O)=CC1O)CCC=2C=CC=CC2
QWQGMMRHTWIOGH-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_167_p16_E11_NEG_QEHF_132.raw
15
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.225524810949158
0.6054053639317132
257.0819396972656
[M-H]-
0.026331159700463305 ppm
6.769265610273578E-6 Da