Spectrum MetaboBASE0476 for Kaempferol-3-O-glucoside

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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
C21H20O11
448.10056146
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=CC4
InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
JPUKWEQWGBDDQB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
LC-ESI-TOF
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
impact HD
ESI
negative
MS2
5
Nitrogen
10
0.0088
2013-11-22 23:22:00+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
362.4
C:\Data\Confirmed Standards\Confirmed stds MSMS 22Nov13\Kaempferol3glucoside MSMS.d
0.5406353683405842
0.27783161961668584
447.0934
[M-H]-
0.2561880805442896 ppm
1.1453999997002029E-4 Da