EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216715 - Erinacerin R

ChEBI IDCHEBI:216715
ChEBI NameErinacerin R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO5
Net Charge0
Average Mass319.357
Monoisotopic Mass319.14197
SMILESCCOC(=O)CC/C(C)=C/Cc1c(O)cc2c(c1O)CNC2=O
InChIInChI=1S/C17H21NO5/c1-3-23-15(20)7-5-10(2)4-6-11-14(19)8-12-13(16(11)21)9-18-17(12)22/h4,8,19,21H,3,5-7,9H2,1-2H3,(H,18,22)/b10-4+
InChIKeyDJPYXBQXHRJAHM-ONNFQVAWSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/j.tet.2015.10.068)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin R (CHEBI:216715) is a isoindoles (CHEBI:24897)
IUPAC Name 
ethyl (E)-6-(4,6-dihydroxy-1-oxo-2,3-dihydroisoindol-5-yl)-4-methylhex-4-enoate
Manual XrefsDatabases
78434881ChemSpider