Spectrum VF-NPL-QEHF005742 for licochalcone B

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/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+
C16H14O5
286.084123548
O=C(C=CC1=CC=C(O)C(O)=C1OC)C2=CC=C(O)C=C2
DRDRYGIIYOPBBZ-XBXARRHUSA-N

Mass Spectral Metadata

NameValue
65HCD
MX_C2_365_p24_B08_POS_QEHF_141.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.7136773826313867
0.4806842455225724
287.0914001464844
[M+H]+
2.415263972557243 ppm
-6.93401515604819E-4 Da