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CHEBI:172767 - 3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone

ChEBI IDCHEBI:172767
ChEBI Name3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54N2O6
Net Charge0
Average Mass598.825
Monoisotopic Mass598.39819
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OCC(CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2)NC(C)=O
InChIInChI=1S/C35H54N2O6/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/h12-13,21-22,27H,5-11,14-20,23-25,36H2,1-4H3,(H,37,38)/b13-12+
InChIKeyWJXUBXRBIJRVSJ-OUKQBFOZSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone (CHEBI:172767) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] (E)-octadec-9-enoate
Manual XrefsDatabases
35014605ChemSpider
HMDB0038567HMDB