Spectrum PM008001 for Quercetin 3-O-alpha-rhamnopyranoside

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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/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1
OXGUCUVFOIWWQJ-HQBVPOQASA-N
C21H20O11
448.10056146
O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(O)C4

Mass Spectral Metadata

NameValue
PM008001
Bottcher C, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
QIT
API QSTAR
15->55V
ESI
positive
Arabidopsis thaliana
[M+H]+
MS2
0.4947024127877414
0.45029754162634417
449.111
[M+H]+
5.496503091652845 ppm
0.0024685399999953006 Da