Spectrum VF-NPL-QTOF007025 for Catechin Tetramethylether

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
GKPNPQODFXMCGO-IFXJQAMLSA-N
C19H22O6
346.141638424
OC1CC=2C(OC)=CC(OC)=CC2OC1C3=CC=C(OC)C(OC)=C3
InChI=1S/C19H22O6/c1-21-12-8-16(23-3)13-10-14(20)19(25-17(13)9-12)11-5-6-15(22-2)18(7-11)24-4/h5-9,14,19-20H,10H2,1-4H3/t14-,19+/m0/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
10 V
NP_C3_41
5.2 minutes
3.5048506459705067
0.9005684686088967
369.1302
[M+Na]+
3.2737066759270794 ppm
-0.001208424000026298 Da