Spectrum MetaboBASE0503 for 7,4'-Dimethoxy-5-hydroxyflavanone

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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/C17H16O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-8,15,18H,9H2,1-2H3
CKEXCBVNKRHAMX-UHFFFAOYSA-N
C17H16O5
300.09977361200004
O=C1C=2C(O)=CC(OC)=CC2OC(C3=CC=C(OC)C=C3)C1

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
5
Nitrogen
40
0.015
2013-11-23 10:14:17+01:00
Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
1120.2
C:\Data\Confirmed Standards\Confirmed stds MSMS 22Nov13\74'Dimethoxy5hydroxyfla MSMS.d
1.7978699739286967
0.9239223993983042
299.09
[M-H]-
8.350703801765853 ppm
-0.0024976120000701485 Da