Spectrum PM018156 for Quercetin-3,7-O-a-L-dirhamnoside

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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
594.1584703
InChI=1S/C27H30O15/c1-8-17(31)20(34)22(36)26(38-8)40-11-6-14(30)16-15(7-11)41-24(10-3-4-12(28)13(29)5-10)25(19(16)33)42-27-23(37)21(35)18(32)9(2)39-27/h3-9,17-18,20-23,26-32,34-37H,1-2H3/t8-,9-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1
GXLQUHPXGLZNGE-BJBZVNFPSA-N
C27H30O15
594.1584702600001
O=C1C(OC2OC(C)C(O)C(O)C2O)=C(OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C13)C=5C=CC(O)=C(O)C5

Mass Spectral Metadata

NameValue
PM018156
F. Matsuda and M. Suzuki.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN/HCOOH
Q-TOF
QTOF Premier
15->55V
ESI
positive
Arabidopsis thaliana
[M+H]+
MS2
1.4316536662170438
0.6884798815072776
595.1795
[M+H]+
21.94252322182348 ppm
0.013059739999903286 Da