Spectrum CCMSLIB00000852824 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
LC-ESI
isolated
Maxis II HD Q-TOF Bruker
291.111
1
positive
E8_RE8_01_7969.mzXML
MS2
GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
mwang87, Jadhav/Dorrestein, lfnothias
3.86565970503626
0.6851689785797009
274.107
[M-H2O+H]+
13.488732502387604 ppm
0.0036973560000319594 Da