Spectrum VF-NPL-QEHF013141 for isosakuranetin

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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
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
C16H14O5
286.084123548
O=C1C=2C(O)=CC(O)=CC2OC(C3=CC=C(OC)C=C3)C1
HMUJXQRRKBLVOO-AWEZNQCLSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C3_37_p04_D02_POS_QEHF_114.raw
15
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.409793649528747
0.5901694077062141
287.0914001464844
[M+H]+
2.415263972557243 ppm
-6.93401515604819E-4 Da