EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212058 - Merulinol A

ChEBI IDCHEBI:212058
ChEBI NameMerulinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESCC1(C)CCC(=O)[C@@]2(C)O[C@]3(O)CC[C@@]12C[C@H]3O
InChIInChI=1S/C14H22O4/c1-11(2)5-4-9(15)12(3)13(11)6-7-14(17,18-12)10(16)8-13/h10,16-17H,4-8H2,1-3H3/t10-,12-,13-,14-/m1/s1
InChIKeyFJCAZGHEJXAHPM-FMKGYKFTSA-N
ChEBI Ontology
Outgoing Relation(s)
Merulinol A (CHEBI:212058) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,6S,8R,9R)-8,9-dihydroxy-2,2,6-trimethyl-7-oxatricyclo[6.2.2.01,6]dodecan-5-one
Manual XrefsDatabases
58197055ChemSpider