Spectrum MetaboBASE0339 for Morin

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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/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
YXOLAZRVSSWPPT-UHFFFAOYSA-N
C15H10O7
302.04265266
O=C1C(O)=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(O)=CC3O

Mass Spectral Metadata

NameValue
Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LC-ESI-TOF
impact HD
License CC-BY-NC-SA 4.0 International
ESI
negative
MS2
5
Nitrogen
20
0.02
2013-11-09 10:55:56+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
414
C:\Data\Confirmed Standards\Confirmed Stds 7Nov13\Morin (vial 89) MSMS.d
2.116769449373251
0.7323519694622256
299.0208