Spectrum VF-NPL-QEHF014399 for 7,8-Dihydroxyflavone

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
C15H10O4
254.0579088
O=C1C=C(OC2=C(O)C(O)=CC=C12)C=3C=CC=CC3
COCYGNDCWFKTMF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
NP_C4_1_p7_H09_NEG_QEHF_48.raw
15
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.9606356854346907
0.3644373780002354
253.05062866210943
[M-H]-
0.016352026496517652 ppm
-4.137890584843262E-6 Da