Spectrum CCMSLIB00000478077 for "(R)-2,4-bis(4-hydroxy-3-methoxyphenyl)-2-methylcyclopent-4-ene-1,3-dione_120172"

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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
1402445-58-2
C20H18O6
354.110338296
O=C1C=C(C(=O)C1(C2=CC=C(O)C(OC)=C2)C)C=3C=CC(O)=C(OC)C3
InChI=1S/C20H18O6/c1-20(12-5-7-15(22)17(9-12)26-3)18(23)10-13(19(20)24)11-4-6-14(21)16(8-11)25-2/h4-10,21-22H,1-3H3/t20-/m1/s1
CKLBWKCMVPEXKM-HXUWFJFHSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Isolated
qToF
354.11
1
P1_C3_conc_GA3_01_2409.mzXML
MS2
GNPS-LIBRARY
Luzzatto, Cichewicz, tal_lk
positive
4.289817425318525
0.7920490956136108
355.12
[M+H]+
4.76375309753125 ppm
0.0016917039999952976 Da