EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209911 - Trieffusol C

ChEBI IDCHEBI:209911
ChEBI NameTrieffusol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O5
Net Charge0
Average Mass292.331
Monoisotopic Mass292.13107
SMILESCC[C@]1(O)C(=O)C=C(OCCc2ccc(O)cc2)C[C@@H]1O
InChIInChI=1S/C16H20O5/c1-2-16(20)14(18)9-13(10-15(16)19)21-8-7-11-3-5-12(17)6-4-11/h3-6,9,15,17,19-20H,2,7-8,10H2,1H3/t15-,16-/m0/s1
InChIKeyDIQBOSNNHYTSTA-HOTGVXAUSA-N
Species of MetaboliteComponentSourceComments
Trichobotrys (ncbitaxon:1520156) - PubMed (32111022)
ChEBI Ontology
Outgoing Relation(s)
Trieffusol C (CHEBI:209911) is a alcohol (CHEBI:30879)
Trieffusol C (CHEBI:209911) is a phenols (CHEBI:33853)
IUPAC Name 
(5S,6R)-6-ethyl-5,6-dihydroxy-3-[2-(4-hydroxyphenyl)ethoxy]cyclohex-2-en-1-one
Manual XrefsDatabases
81424685ChemSpider