Spectrum PM014802 for Hydroxy matairesinol

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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/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19,21-23H,7,10H2,1-2H3/t13-,14+,19?/m0/s1
UKHWOLNMBQSCLJ-PFCANICASA-N
C20H22O7
374.136553044
O=C1OCC(C(O)C2=CC=C(O)C(OC)=C2)C1CC3=CC=C(O)C(OC)=C3

Mass Spectral Metadata

NameValue
PM014802
Ge GB, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
H2O/CH3CN
in source CID
SQ detector
40V
ESI
negative
Taxus yunnanensis
[M-H]-
MS2
1.0986122886681096
0.9999999999999998
374