EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206375 - Acremine M

ChEBI IDCHEBI:206375
ChEBI NameAcremine M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O6
Net Charge0
Average Mass256.254
Monoisotopic Mass256.09469
SMILESCC1(C)O[C@]2(O)C(=CC(=O)[C@]3(C)O[C@@H]32)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H16O6/c1-10(2)8(15)7(14)5-4-6(13)11(3)9(17-11)12(5,16)18-10/h4,7-9,14-16H,1-3H3/t7-,8+,9+,11+,12-/m1/s1
InChIKeyHXCWQQKTPFIZQP-RNFDAIKLSA-N
Species of MetaboliteComponentSourceComments
Simplicillium lanosoniveum (ncbitaxon:132112) - DOI (10.1016/j.tet.2008.11.058)
ChEBI Ontology
Outgoing Relation(s)
Acremine M (CHEBI:206375) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1aR,4R,5S,7aR,7bS)-4,5,7a-trihydroxy-1a,6,6-trimethyl-5,7b-dihydro-4H-oxireno[2,3-h]chromen-2-one
Manual XrefsDatabases
27445053ChemSpider