Spectrum PM012929 for (+)-1-Hydroxylpinoresinol

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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
374.14
InChI=1S/C20H22O7/c1-24-16-7-11(3-5-14(16)21)18-13-9-26-19(20(13,23)10-27-18)12-4-6-15(22)17(8-12)25-2/h3-8,13,18-19,21-23H,9-10H2,1-2H3/t13-,18-,19-,20-/m1/s1
CICMVLOHBZPXIT-WNISUXOKSA-N
C20H22O7
374.136553044
OC1=CC=C(C=C1OC)C2OCC3(O)C(OCC23)C4=CC=C(O)C(OC)=C4

Mass Spectral Metadata

NameValue
PM012929
Guo H, Liu AH, Ye M, Yang M, & Guo DA
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3OH/CH3COOH
QIT
LCQ
45%
ESI
negative
Forsythia suspensa
[M-H]-
MS2
1.0776615418344762
0.9809298084048986
373
[M-H]-
346.5872493297354 ppm
-0.1292770439999913 Da