Spectrum CCMSLIB00000224885 for 5,7-dihydroxy-3,8-dimethoxy-2-phenyl-4H-chromen-4-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
InChI=1S/C17H14O6/c1-21-15-11(19)8-10(18)12-13(20)17(22-2)14(23-16(12)15)9-6-4-3-5-7-9/h3-8,18-19H,1-2H3
C17H14O6
314.07903816799995
O=C1C(OC)=C(OC=2C(OC)=C(O)C=C(O)C12)C=3C=CC=CC3
OWQLBLNRUZULFV-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
Ion Trap
0.0
-1
f.danieldemarque/GNAFALINA_neg.mgf;
MS2
GNPS-LIBRARY
danieldemarque, Daniel Demarque, Norberto Lopes
negative
1.0955513518494369
0.4986069076187088
313.0
[M-H]-
229.27210223630613 ppm
-0.07176216799996382 Da