EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:218657 - Bybetapectin A

ChEBI IDCHEBI:218657
ChEBI NameBybetapectin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H42O4
Net Charge0
Average Mass490.684
Monoisotopic Mass490.30831
SMILESCCCCCCCCC(=O)c1cccc(O)c1-c1cc2c(C(=O)CCCCCCCC)cccc2o1
InChIInChI=1S/C32H42O4/c1-3-5-7-9-11-13-19-27(33)24-17-16-22-30-26(24)23-31(36-30)32-25(18-15-21-29(32)35)28(34)20-14-12-10-8-6-4-2/h15-18,21-23,35H,3-14,19-20H2,1-2H3
InChIKeyRWTGIYYLAPLYAR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paecilomyces (ncbitaxon:33202) - PubMed (29353723)
ChEBI Ontology
Outgoing Relation(s)
Bybetapectin A (CHEBI:218657) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-[2-(2-hydroxy-6-nonanoylphenyl)-1-benzouran-4-yl]nonan-1-one
Manual XrefsDatabases
90618667ChemSpider