Spectrum CCMSLIB00000848129 for NCGC00168937-02!3-phenyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

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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
QWQGMMRHTWIOGH-UHFFFAOYSA-N
n/a
n/a
InChI=1S/C15H14O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-5,8-9,16,18-19H,6-7H2
C15H14O4
258.089208928
O=C(C=1C(O)=CC(O)=CC1O)CCC=2C=CC=CC2

Mass Spectral Metadata

NameValue
positive
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
258.089
1
A8_GA8_01_2688.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.552702514494295
0.5519389232218164
259.096
[M+H]+
4.550159014425669 ppm
-0.0011789280000016333 Da