Spectrum VF-NPL-QTOF009867 for tricetin

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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
ARSRJFRKVXALTF-UHFFFAOYSA-N
C15H10O7
302.04265266
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(O)=C(O)C3
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
20 V
120_97
3.1325 minutes
0.8971671486199503
0.389634741990519
301.0354
[M-H]-
0.07753240975736796 ppm
2.3339999984273163E-5 Da