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CHEBI:169065 - Glyceryl lactopalmitate

ChEBI IDCHEBI:169065
ChEBI NameGlyceryl lactopalmitate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16N6O2S
Net Charge0
Average Mass404.455
Monoisotopic Mass404.10554
SMILESCOc1cccc(OC)c1-c1nn2c(-c3cc(-c4ccccc4)nn3)nnc2s1
InChIInChI=1S/C20H16N6O2S/c1-27-15-9-6-10-16(28-2)17(15)19-25-26-18(23-24-20(26)29-19)14-11-13(21-22-14)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,21,22)
InChIKeyFADKMVWORSHBKJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Glyceryl lactopalmitate (CHEBI:169065) is a pyrazoles (CHEBI:26410)
Glyceryl lactopalmitate (CHEBI:169065) is a ring assembly (CHEBI:36820)
IUPAC Name 
6-(2,6-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Manual XrefsDatabases
HMDB0032299HMDB
579020ChemSpider