EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199425 - Erinacerin A

ChEBI IDCHEBI:199425
ChEBI NameErinacerin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILESCOc1cc2c(c3c1CC[C@](C)(CC(=O)C=C(C)C)O3)CN(CCc1ccccc1)C2=O
InChIInChI=1S/C27H31NO4/c1-18(2)14-20(29)16-27(3)12-10-21-24(31-4)15-22-23(25(21)32-27)17-28(26(22)30)13-11-19-8-6-5-7-9-19/h5-9,14-15H,10-13,16-17H2,1-4H3/t27-/m1/s1
InChIKeyVSETXQQLPHMGQF-HHHXNRCGSA-N
Species of MetaboliteComponentSourceComments
Hericium (ncbitaxon:40459) - PubMed (16141599)
ChEBI Ontology
Outgoing Relation(s)
Erinacerin A (CHEBI:199425) is a isoindoles (CHEBI:24897)
IUPAC Name 
5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-8-(2-phenylethyl)-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one
Manual XrefsDatabases
9699652ChemSpider