Spectrum VF-NPL-QTOF002501 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
QWQGMMRHTWIOGH-UHFFFAOYSA-N
C15H14O4
258.089208928
O=C(C=1C(O)=CC(O)=CC1O)CCC=2C=CC=CC2
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
40 V
MX_C2_167
5.496 minutes
3.055235675483644
0.9073261838998911
259.0945
[M+H]+
10.339578802417677 ppm
-0.0026789280000230065 Da