Spectrum CCMSLIB00000847331 for NCGC00385661-01!3,5,7,8-tetramethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one

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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
n/a
n/a
InChI=1S/C22H24O9/c1-24-12-10-15(27-4)20(29-6)21-16(12)17(23)22(30-7)18(31-21)11-8-13(25-2)19(28-5)14(9-11)26-3/h8-10H,1-7H3
C22H24O9
432.142032348
O=C1C(OC)=C(OC=2C(OC)=C(OC)C=C(OC)C12)C=3C=C(OC)C(OC)=C(OC)C3
AFQWYRUBZJYCIF-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
432.142
1
positive
E9_GE9_01_2634.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
2.234069238226763
0.5525700987272728
471.105
[M+K]+
287.265785758935 ppm
-0.13533234799996308 Da