Spectrum PB004922 for Xanthohumol

Rating: (*)★(*)★(*)★(*)★(*)☆

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
Natural Product; Chalcones
InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
ORXQGKIUCDPEAJ-YRNVUSSQSA-N
C21H22O5
354.146723804
O=C(C=CC1=CC=C(O)C=C1)C=2C(OC)=CC(O)=C(C2O)CC=C(C)C

Mass Spectral Metadata

NameValue
PB004922
2016.01.19 (Created 2009.05.12, modified 2013.06.04)
Schmidt J, Institute of Plant Biochemistry, Halle, Germany
CC BY-SA
354.14672
TSQ QUANTUM AM
LC-ESI-QQ
MS2
20 eV
ESI
positive
0.4552324855047307
0.23394321969374268
[M+H]+
355.154693804
0.0 ppm
0.0 Da