EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202216 - Mabetaarilactone A

ChEBI IDCHEBI:202216
ChEBI NameMabetaarilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESC=C1OC(=O)[C@]23[C@@H]1O[C@H](C[C@H](O)[C@@H]2O)[C@H]3C
InChIInChI=1S/C11H14O5/c1-4-7-3-6(12)8(13)11(4)9(16-7)5(2)15-10(11)14/h4,6-9,12-13H,2-3H2,1H3/t4-,6+,7-,8+,9-,11+/m1/s1
InChIKeyWEYVNBPVWCXGFX-PINFBOFISA-N
Species of MetaboliteComponentSourceComments
Massarina (ncbitaxon:45292) - DOI (10.1016/s0040-4039(00)02160-2)
ChEBI Ontology
Outgoing Relation(s)
Mabetaarilactone A (CHEBI:202216) is a furofuran (CHEBI:47790)
IUPAC Name 
(1S,5S,7R,9S,10R,11S)-9,10-dihydroxy-11-methyl-4-methylidene-3,6-dioxatricyclo[5.3.1.01,5]undecan-2-one
Manual XrefsDatabases
8974549ChemSpider