Spectrum CCMSLIB00004678828 for methoxy-myricetin-3-O-hexoside

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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
InChI=1S/C22H22O13/c1-32-20-10(26)2-7(3-11(20)27)19-21(16(29)14-9(25)4-8(24)5-12(14)33-19)35-22-18(31)17(30)15(28)13(6-23)34-22/h2-5,13,15,17-18,22-28,30-31H,6H2,1H3
C22H22O13
494.106040764
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=C(O)C(OC)=C(O)C4
SCHVWZLYQPLPJV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Crude
qTof
0.0
1
f.faustocn/Chrysobalanaceae/NEG/negativo 15eV/34m-15.mzXML;
MS2
GNPS-LIBRARY
faustocn, NPLopes
negative
4.36471466695224
0.5299285839647855
493.093
[M-H]-
11.69102785882455 ppm
-0.005764763999991374 Da