Spectrum MetaboBASE0036 for 7,4'-Dihydroxyflavone

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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/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
LCAWNFIFMLXZPQ-UHFFFAOYSA-N
C15H10O4
254.0579088
O=C1C=C(OC2=CC(O)=CC=C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
License CC-BY-NC-SA 4.0 International
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
ESI
negative
MS2
Nitrogen
25
25
0.022
2013-07-27 04:42:55+02:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
430.725
D:\Data\Confirmed Standards\Reanalyzed 7_26_13\7,4'-Dihydroxyflavone (vial 7).d
1.4190271650320736
0.645827094630634
253.0531
[M-H]-
9.749732368360254 ppm
0.0024671999999839045 Da