EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219909 - Naematolin

ChEBI IDCHEBI:219909
ChEBI NameNaematolin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O5
Net Charge0
Average Mass308.374
Monoisotopic Mass308.16237
SMILESC=C1C(=O)[C@H](OC(C)=O)/C=C(/C)[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC2(C)C
InChIInChI=1S/C17H24O5/c1-8-6-12(22-10(3)18)15(20)9(2)11-7-17(4,5)13(11)16(21)14(8)19/h6,11-14,16,19,21H,2,7H2,1,3-5H3/b8-6-/t11-,12-,13-,14-,16+/m1/s1
InChIKeyGCJYDDQHDPNDBI-CNKLGXOISA-N
Species of MetaboliteComponentSourceComments
Hypholoma fasciculare (ncbitaxon:72129) - DOI (10.1246/cl.1986.653)
ChEBI Ontology
Outgoing Relation(s)
Naematolin (CHEBI:219909) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,4R,5Z,7R,8S,9S)-7,8-dihydroxy-6,10,10-trimethyl-2-methylidene-3-oxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
Manual XrefsDatabases
4948253ChemSpider