Spectrum VF-NPL-QEHF014284 for 5,7-dihydroxy-6-methoxy-2-phenylchromen-4-one

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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/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
C16H12O5
284.068473484
O=C1C=C(OC2=CC(O)=C(OC)C(O)=C12)C=3C=CC=CC3
LKOJGSWUMISDOF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C4_55_p15_C02_POS_QEHF_50.raw
2
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.181897178964362
0.8044435062312763
307.0576782226562
[M+Na]+
1.8408963002672607 ppm
-5.652613438087428E-4 Da