Spectrum VF-NPL-QEHF014330 for Scutellarein 4'-methyl ether

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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/C16H12O6/c1-21-9-4-2-8(3-5-9)12-6-10(17)14-13(22-12)7-11(18)15(19)16(14)20/h2-7,18-20H,1H3
C16H12O6
300.06338810399996
O=C1C=C(OC2=CC(O)=C(O)C(O)=C12)C=3C=CC(OC)=CC3
XVMMEYCPXZYLAI-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
45HCD
MX_C4_60_p23_B05_POS_QEHF_134.raw
75
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.8884834647912117
0.5632424420693043
323.0526123046875
[M+Na]+
1.6895059556481027 ppm
-5.457993124764471E-4 Da