Spectrum VF-NPL-QEHF014098 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
314.079038168
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_NEG_QEHF_130.raw
52
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.730843551188624
0.40761898836215615
313.0717468261719
[M-H]-
0.049004192493241845 ppm
-1.5341828145665204E-5 Da