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CHEBI:175753 - Furcelleran

ChEBI IDCHEBI:175753
ChEBI NameFurcelleran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H27NO4
Net Charge0
Average Mass477.560
Monoisotopic Mass477.19401
SMILESCCOC(=O)C1=C(C)NC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1
InChIInChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3
InChIKeySNVFDPHQAOXWJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
Furcelleran (CHEBI:175753) is a cinnamate ester (CHEBI:36087)
IUPAC Name 
5-O-benzyl 3-O-ethyl 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
Manual XrefsDatabases
HMDB0037510HMDB
348847ChemSpider