Spectrum MetaboBASE0346 for Chrysoeriol

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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/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
SCZVLDHREVKTSH-UHFFFAOYSA-N
C16H12O6
300.06338810399996
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=C(OC)C3

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
negative
LC-ESI-TOF
impact HD
ESI
Nitrogen
10
0.017
2013-11-09 05:29:28+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
624.6
C:\Data\Confirmed Standards\Confirmed Stds 7Nov13\Chrysoeriol (vial 112).d
299.0567; C16H11O6
0.8775511235626733
0.45097206774357007