Spectrum PM010508 for Eriodictyol

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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
288.06
InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SBHXYTNGIZCORC-ZDUSSCGKSA-N
C15H12O6
288.06338810399996
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(O)C(O)=C3)C1

Mass Spectral Metadata

NameValue
PM010508
Milbury PE, Chen CY, Dolnikowski GG, & Blumberg JB
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/HCOOH
QIT
Esquire
ESI
negative
Prunus dulcis
[M-H]-
MS2
0.0
NaN
287
[M-H]-
195.51255749116655 ppm
-0.0561121039999648 Da