Spectrum VF-NPL-QTOF007113 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
ZIIAJIWLQUVGHB-UHFFFAOYSA-N
C17H14O6
314.07903816799995
O=C1C=C(OC=2C=C(OC)C(OC)=C(O)C12)C=3C=CC(O)=CC3
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

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent 6530 Q-TOF
Arpana Vaniya and Alberto Valdes Tabernero
negative
10 V
MX_C4_20
5.1607 minutes
1.0733328096856152
0.5990384469116493
313.0718
[M-H]-
0.12084128954529724 ppm
3.783200003226739E-5 Da