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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone
ChEBI ID CHEBI:186035
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H52N2O6
Net Charge 0
Average Mass 596.809
Monoisotopic Mass 596.38254
InChI InChI=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+
InChIKey MCIFNOLGPRTLRK-HULFFUFUSA-N
SMILES O1C(CC(=O)C2=C1C=CC(=C2N)C(=O)CC(NC(=O)C)COC(=O)CCCCCCCC/C=C/C=C/CCCCC)(C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014604 ChemSpider
HMDB0038566 HMDB
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Last Modified
24 February 2022