Spectrum VF-NPL-LTQ003874 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
35
MX_C4_55_p15_C02_iTree_POS_42.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.6497928239487237
0.3626562801025265
363.0891576306573
M-H
220408.56485189687 ppm
80.02796014665734 Da