Spectrum VF-NPL-QTOF008770 for methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-3,5-dihydroxybenzoate

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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
GIJDACMRFIMBET-UHFFFAOYSA-N
C16H14O7
318.073952788
O=C(OC)C=1C=C(O)C=C(O)C1C(=O)C2=C(O)C=C(C=C2O)C
InChI=1S/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(21)13-9(16(22)23-2)5-8(17)6-12(13)20/h3-6,17-20H,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
20 V
MX_C2_559
3.264 minutes
2.1962448328767787
0.6522280618527065
317.068
[M-H]-
4.173275133373334 ppm
0.0013232119999884162 Da