Spectrum VF-NPL-QEHF004022 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
45HCD
MX_C2_167_p16_E11_POS_QEHF_131.raw
5
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.139942764261815
0.74764183714177
259.0964660644531
[M+H]+
2.751344152656017 ppm
-7.128635468802713E-4 Da