EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218914 - Conipyridoin E

ChEBI IDCHEBI:218914
ChEBI NameConipyridoin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO4
Net Charge0
Average Mass393.483
Monoisotopic Mass393.19401
SMILESC[C@H]1CC[C@@H]2[C@@H](C(=O)C3=C(O)C(=Cc4ccc(O)cc4)NC3=O)[C@@H](C)C=C[C@H]2C1
InChIInChI=1S/C24H27NO4/c1-13-3-10-18-16(11-13)7-4-14(2)20(18)23(28)21-22(27)19(25-24(21)29)12-15-5-8-17(26)9-6-15/h4-9,12-14,16,18,20,26-27H,3,10-11H2,1-2H3,(H,25,29)/t13-,14-,16-,18-,20-/m0/s1
InChIKeyZTPRGNSDYJYDLV-GDQDSAMQSA-N
Species of MetaboliteComponentSourceComments
Coniochaeta cephalothecoides (ncbitaxon:2033264) - PubMed (29019245)
ChEBI Ontology
Outgoing Relation(s)
Conipyridoin E (CHEBI:218914) is a phenols (CHEBI:33853)
IUPAC Name 
3-[(1S,2S,4aR,6S,8aS)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-4-hydroxy-5-[(4-hydroxyphenyl)methylidene]pyrrol-2-one
Manual XrefsDatabases
78439471ChemSpider