Spectrum VF-NPL-QTOF009320 for Pinoquercetin

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
DTFXGVGIKNSCQQ-UHFFFAOYSA-N
C16H12O7
316.058302724
O=C1C(O)=C(OC2=CC(O)=C(C(O)=C12)C)C=3C=CC(O)=C(O)C3
InChI=1S/C16H12O7/c1-6-9(18)5-11-12(13(6)20)14(21)15(22)16(23-11)7-2-3-8(17)10(19)4-7/h2-5,17-20,22H,1H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
40 V
MX_C4_44
4.8725 minutes
3.840807997009046
0.8578331620237191
317.0656
[M+H]+
2.1217186600157625 ppm
-6.727239999690937E-4 Da