Spectrum CCMSLIB00000078709 for "NCGC00160185-01!3,3',4,4'-Tetramethoxy-7,7'-epoxylignan"

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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
C22H28O5
372.19367399600003
O(C1=CC=C(C=C1OC)C2OC(C3=CC=C(OC)C(OC)=C3)C(C)C2C)C
InChI=1S/C22H28O5/c1-13-14(2)22(16-8-10-18(24-4)20(12-16)26-6)27-21(13)15-7-9-17(23-3)19(11-15)25-5/h7-14,21-22H,1-6H3/t13-,14+,21-,22+
JLJAVUZBHSLLJL-DQEHQXCCSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
372.194
1
p1-E02_GE2_01_17922.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
5.66362643214872
0.8386286363204863
373.201
[M+H]+
1.7256009496436868 ppm
-6.439960000079736E-4 Da