Spectrum MetaboBASE0747 for 5,4'-Dihydroxy-7-methoxyflavone

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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/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
JPMYFOBNRRGFNO-UHFFFAOYSA-N
C16H12O5
284.068473484
O=C1C=C(OC=2C=C(OC)C=C(O)C12)C=3C=CC(O)=CC3

Mass Spectral Metadata

NameValue
impact HD
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
ESI
negative
MS2
5
Nitrogen
30
0.014
2014-01-04 18:09:28+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
874.8
C:\Data\Confirmed Standards\Confirmed stds MSMS 2Jan14\54'Dihydroxy7methoxyfla_MSMS.d
1.1309603801878976
0.5438769773129922
283.0583
[M-H]-
10.2363506034481 ppm
-0.002897484000015993 Da