Spectrum PM007007 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
448.1
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/t13-,15-,17+,18-,21+/m1/s1
JPUKWEQWGBDDQB-QSOFNFLRSA-N
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

Mass Spectral Metadata

NameValue
PM007007
Ferreres F, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/CH3COOH
QIT
G2445A
0.3->2V
ESI
negative
Pieris brassicae
[M-H]-
MS2
0.0
NaN
447
[M-H]-
208.69230425056858 ppm
-0.09328546000000415 Da