EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174819 - Cyclocalopin A

ChEBI IDCHEBI:174819
ChEBI NameCyclocalopin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILES[H][C@]12[C@H](C)COC(=O)[C@@]1([H])O[C@@](C)(O)[C@@]21CC=C(C)C(=O)[C@H]1O
InChIInChI=1S/C15H20O6/c1-7-4-5-15(12(17)10(7)16)9-8(2)6-20-13(18)11(9)21-14(15,3)19/h4,8-9,11-12,17,19H,5-6H2,1-3H3/t8-,9+,11+,12-,14-,15+/m1/s1
InChIKeyOGOHSCJKRSLFLO-UOMAJYNRSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclocalopin A (CHEBI:174819) is a furopyran (CHEBI:74927)
IUPAC Name 
(2R,3S,3aR,4S,6'S,7aS)-2,6'-dihydroxy-2,2',4-trimethylspiro[3a,4,5,7a-tetrahydrouro[2,3-c]pyran-3,5'-cyclohex-2-ene]-1',7-dione
Manual XrefsDatabases
9088718ChemSpider