Spectrum CCMSLIB00000848933 for NCGC00347799-02!2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol

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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/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3
C20H18O5
338.115423676
OC=1C=CC(=CC1)C2=CC(OC)=C(C(O)=C2OC)C3=CC=C(O)C=C3
YNEMPXKRLPZFAX-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
338.115
1
positive
E9_RE9_01_2765.mzXML
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.6222432695233393
0.7592711643413328
339.122
[M+H]+
4.109659650402397 ppm
-0.0013936759999637616 Da