Spectrum CCMSLIB00000851112 for NCGC00380910-01_C15H17NO5_2,6-Piperidinedione, 4-[2-[2-hydroxy-3-(hydroxymethyl)-5-methylphenyl]-2-oxoethyl]-

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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
145066-21-3
n/a
InChI=1S/C15H17NO5/c1-8-2-10(7-17)15(21)11(3-8)12(18)4-9-5-13(19)16-14(20)6-9/h2-3,9,17,21H,4-7H2,1H3,(H,16,19,20)
C15H17NO5
291.110672644
O=C1N=C(O)CC(C1)CC(=O)C=2C=C(C=C(C2O)CO)C
LCUSCMFPERKRCU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
MS2
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
291.111
1
negative
E8_RE8_01_8284.mzXML
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_NEGATIVE
mwang87, Jadhav/Dorrestein, lfnothias
1.3512985662564716
0.5868615107289613
290.103
[M-H]-
1.3672523206488263 ppm
-3.9664399997718647E-4 Da