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CHEBI:186035 - 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone

ChEBI IDCHEBI:186035
ChEBI Name3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H52N2O6
Net Charge0
Average Mass596.809
Monoisotopic Mass596.38254
SMILESCCCCC/C=C/C=C/CCCCCCCCC(=O)OCC(CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2)NC(C)=O
InChIInChI=1S/C35H52N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-32(41)42-25-27(37-26(2)38)23-29(39)28-21-22-31-33(34(28)36)30(40)24-35(3,4)43-31/h9-12,21-22,27H,5-8,13-20,23-25,36H2,1-4H3,(H,37,38)/b10-9+,12-11+
InChIKeyMCIFNOLGPRTLRK-HULFFUFUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone (CHEBI:186035) is a carboxylic ester (CHEBI:33308)
3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone (CHEBI:186035) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] (10E,12E)-octadeca-10,12-dienoate
Manual XrefsDatabases
35014604ChemSpider
HMDB0038566HMDB