Spectrum VF-NPL-QEHF000567 for naringenin

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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/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
C15H12O5
272.068473484
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C=C3)C1
FTVWIRXFELQLPI-ZDUSSCGKSA-N

Mass Spectral Metadata

NameValue
45HCD
120_75_NEG_QEHF_58.raw
10
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.29888460679846
0.46453751196702064
271.0611877441406
[M-H]-
0.035932327480420606 ppm
-9.739859365254233E-6 Da