Spectrum VF-NPL-QTOF008329 for licochalcone B

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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
DRDRYGIIYOPBBZ-XBXARRHUSA-N
C16H14O5
286.084123548
O=C(C=CC1=CC=C(O)C(O)=C1OC)C2=CC=C(O)C=C2
InChI=1S/C16H14O5/c1-21-16-11(5-9-14(19)15(16)20)4-8-13(18)10-2-6-12(17)7-3-10/h2-9,17,19-20H,1H3/b8-4+

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
40 V
MX_C2_365
3.261 minutes
1.6469973842327708
0.559358640435819
285.0767
[M-H]-
0.5175729899098395 ppm
-1.4754799997263035E-4 Da