Spectrum CCMSLIB00000078777 for NCGC00015741-06!NORDIHYDROGUAIARETIC ACID

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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
C18H22O4
302.151809184
OC1=CC=C(C=C1O)CC(C)C(C)CC2=CC=C(O)C(O)=C2
InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
HCZKYJDFEPMADG-TXEJJXNPSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Prestwick Phytochem Lib
qTOF
302.152
1
p1-H03_GH3_01_17959.mzXML
MS2
GNPS-PRESTWICKPHYTOCHEM
vphelan, Dorrestein, VVP/LMS
positive
3.7264554722152816
0.8301976736951981
303.16
[M+H]+
0.7283810529874003 ppm
2.208160000236603E-4 Da