Spectrum VF-NPL-QTOF009963 for Xanthyletin

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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
QOTBQNVNUBKJMS-UHFFFAOYSA-N
C14H12O3
228.07864424399997
O=C1OC=2C=C3OC(C=CC3=CC2C=C1)(C)C
InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
positive
20 V
NP_C2_95
nan minutes
1.5653394331822326
0.5415702768704076
251.0679
[M+Na]+
2.0482267942608665 ppm
-5.142439999588078E-4 Da