Spectrum VF-NPL-QTOF006460 for Acacetin

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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
DANYIYRPLHHOCZ-UHFFFAOYSA-N
C16H12O5
284.068473484
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=CC(OC)=CC3
InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
20 V
NP_C4_29
5.424 minutes
0.5550320014072676
0.8007419159649412
283.0622
[M-H]-
3.5416809451357634 ppm
0.0010025160000282085 Da