EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200739 - Scyphostatin

ChEBI IDCHEBI:200739
ChEBI NameScyphostatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H43NO5
Net Charge0
Average Mass485.665
Monoisotopic Mass485.31412
SMILESCCC(C)/C=C(\C)CC(C)CC(C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@@]1(O)C(=O)C=C[C@@H]2O[C@@H]21
InChIInChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20?,21?,23?,24-,25-,28-,29+/m0/s1
InChIKeyKSIWZCYBCSQXTA-BCSSHGTOSA-N
Species of MetaboliteComponentSourceComments
Trichopeziza (ncbitaxon:47815) - PubMed (10470675)
ChEBI Ontology
Outgoing Relation(s)
Scyphostatin (CHEBI:200739) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2E,4E,6E,12E)-N-[(2S)-1-hydroxy-3-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
Manual XrefsDatabases
8942564ChemSpider