Spectrum VF-NPL-LTQ007224 for 7,8-Dihydroxyflavone

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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/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
35
NP_C4_1_p7_H09_iTree_POS_06.RAW
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
1.4351799907818485
0.5985165436799821
255.11107529860277
M+H
177.16400022955355 ppm
0.04519649860276331 Da