Spectrum VF-NPL-QEHF014107 for cirsimaritin

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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/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3
C17H14O6
314.07903816799995
O=C1C=C(OC=2C=C(OC)C(OC)=C(O)C12)C=3C=CC(O)=CC3
ZIIAJIWLQUVGHB-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C4_20_p23_F03_POS_QEHF_128.raw
24
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
4.664195724050324
0.6828109497893452
353.0422058105469
[M+K]+
382.7654462525932 ppm
-0.13513235745307384 Da