EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:186306 - Enterocin 900

ChEBI IDCHEBI:186306
ChEBI NameEnterocin 900
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H33NO2
Net Charge0
Average Mass451.610
Monoisotopic Mass451.25113
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccc(OCCN3CCCC3)cc2)CCCCC4)cc1
InChIInChI=1S/C31H33NO2/c1-3-9-24(10-4-1)31-30(28-21-25-11-5-2-6-12-26(25)22-29(28)34-31)23-13-15-27(16-14-23)33-20-19-32-17-7-8-18-32/h1,3-4,9-10,13-16,21-22H,2,5-8,11-12,17-20H2
InChIKeyLSRSTEGFQPNESQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Enterocin 900 (CHEBI:186306) is a benzofurans (CHEBI:35259)
IUPAC Name 
1-[2-[4-(2-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[][1]benzouran-3-yl)phenoxy]ethyl]pyrrolidine
Manual XrefsDatabases
HMDB0038284HMDB
179530ChemSpider
Registry NumbersSources
CAS:29325-83-5ChemIDplus