EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208564 - Libertalide M

ChEBI IDCHEBI:208564
ChEBI NameLibertalide M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESC[C@H]1CC[C@H]2C(=C[C@@H](O)[C@@](C)(O)[C@]2(C)C(=O)CCO)C1
InChIInChI=1S/C16H26O4/c1-10-4-5-12-11(8-10)9-14(19)16(3,20)15(12,2)13(18)6-7-17/h9-10,12,14,17,19-20H,4-8H2,1-3H3/t10-,12-,14+,15-,16+/m0/s1
InChIKeyNQFCPVXLNVKFBV-OTJKUPJXSA-N
ChEBI Ontology
Outgoing Relation(s)
Libertalide M (CHEBI:208564) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1R,2S,3R,6S,8aS)-2,3-dihydroxy-1,2,6-trimethyl-3,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
78439025ChemSpider