EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200114 - Agistatin B

ChEBI IDCHEBI:200114
ChEBI NameAgistatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O4
Net Charge0
Average Mass214.261
Monoisotopic Mass214.12051
SMILESCC[C@@H]1CC[C@@H]2O[C@H]3C[C@H](O)[C@]2(O)[C@@H]1O3
InChIInChI=1S/C11H18O4/c1-2-6-3-4-8-11(13)7(12)5-9(14-8)15-10(6)11/h6-10,12-13H,2-5H2,1H3/t6-,7+,8+,9-,10-,11-/m1/s1
InChIKeyVPNRLNAIVJHRND-FSKPYACHSA-N
ChEBI Ontology
Outgoing Relation(s)
Agistatin B (CHEBI:200114) is a dioxanes (CHEBI:46926)
IUPAC Name 
(1R,3R,4R,7S,8R,9S)-4-ethyl-2,11-dioxatricyclo[5.3.1.03,8]undecane-8,9-diol
Manual XrefsDatabases
71117197ChemSpider