Spectrum VF-NPL-LTQ003864 for 4',5,7-trihydroxy-3,6-dimethoxyflavone

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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/C17H14O7/c1-22-16-10(19)7-11-12(13(16)20)14(21)17(23-2)15(24-11)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3
C17H14O7
330.073952788
O=C1C(OC)=C(OC2=CC(O)=C(OC)C(O)=C12)C=3C=CC(O)=CC3
DDNPCXHBFYJXBJ-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35
MX_C4_50_p19_E04_iTree_NEG_32.raw
negative
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
328.9796418220766
M-H
264.56034009082987 ppm
-0.08703496592340798 Da