EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181609 - (+)-Aspermytin A

ChEBI IDCHEBI:181609
ChEBI Name(+)-Aspermytin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILES[H][C@]12CC[C@H](C)C[C@]1([H])C=C[C@@](C)(O)[C@]2(C)C(=O)CCO
InChIInChI=1S/C16H26O3/c1-11-4-5-13-12(10-11)6-8-15(2,19)16(13,3)14(18)7-9-17/h6,8,11-13,17,19H,4-5,7,9-10H2,1-3H3/t11-,12-,13-,15+,16-/m0/s1
InChIKeyRYBXJAJHOPCXHS-RDUHTLEXSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-Aspermytin A (CHEBI:181609) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
8168673ChemSpider