CHEBI:175753 - Furcelleran

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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 Furcelleran
ChEBI ID CHEBI:175753
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H27NO4
Net Charge 0
Average Mass 477.560
Monoisotopic Mass 477.19401
InChI InChI=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
InChIKey SNVFDPHQAOXWJZ-UHFFFAOYSA-N
SMILES O(C(=O)C=1C(C(=C(NC1C2=CC=CC=C2)C)C(OCC)=O)C#CC3=CC=CC=C3)CC4=CC=CC=C4
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
Bos taurus (NCBI:txid9913) Found in spermatozoon (FMA:67338). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
348847 ChemSpider
HMDB0037510 HMDB
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