EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200911 - Radianspene I

Default Structure
ChEBI IDCHEBI:200911
ChEBI NameRadianspene I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC(=O)O[C@@H]1[C@H](O)[C@H](C(C)C)[C@@]2(C)CC[C@]3(C)CC[C@H](O)C4=C3[C@H](OC4=O)[C@@H]12
InChIInChI=1S/C22H32O6/c1-10(2)14-17(25)19(27-11(3)23)16-18-15-13(20(26)28-18)12(24)6-7-21(15,4)8-9-22(14,16)5/h10,12,14,16-19,24-25H,6-9H2,1-5H3/t12-,14-,16-,17+,18-,19-,21-,22+/m0/s1
InChIKeyDJPDLYKJBRHWGX-TUSZRUIDSA-N
Species of MetaboliteComponentSourceComments
Coprinus (ncbitaxon:5345) - PubMed (22521133)
ChEBI Ontology
Outgoing Relation(s)
Radianspene I (CHEBI:200911) is a butenolide (CHEBI:50523)
IUPAC Name 
[(1R,2S,3S,4R,5R,6R,9R,12S)-4,12-dihydroxy-6,9-dimethyl-14-oxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-3-yl] acetate
Manual XrefsDatabases
32742606ChemSpider