EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224679 - Acremostrictin

ChEBI IDCHEBI:224679
ChEBI NameAcremostrictin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCC1=C[C@@H]2C[C@]3(C)OC(=O)[C@@](O)([C@H]3C)[C@]2(O)C1=O
InChIInChI=1S/C13H16O5/c1-6-4-8-5-11(3)7(2)12(16,10(15)18-11)13(8,17)9(6)14/h4,7-8,16-17H,5H2,1-3H3/t7-,8+,11-,12-,13+/m0/s1
InChIKeyNPMJPMBCGOWCAJ-FYTYDNSOSA-N
Species of MetaboliteComponentSourceComments
Acremonium (ncbitaxon:159075) - PubMed (22136576)
ChEBI Ontology
Outgoing Relation(s)
Acremostrictin (CHEBI:224679) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(1R,2S,6S,8S,11R)-1,2-dihydroxy-4,8,11-trimethyl-9-oxatricyclo[6.2.1.02,6]undec-4-ene-3,10-dione
Manual XrefsDatabases
28289524ChemSpider