EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172562 - 5-Deoxymyricanone

ChEBI IDCHEBI:172562
ChEBI Name5-Deoxymyricanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O4
Net Charge0
Average Mass340.419
Monoisotopic Mass340.16746
SMILESCOc1cc2cc(c1OC)-c1cc(ccc1O)CCC(=O)CCCC2
InChIInChI=1S/C21H24O4/c1-24-20-13-15-5-3-4-6-16(22)9-7-14-8-10-19(23)17(11-14)18(12-15)21(20)25-2/h8,10-13,23H,3-7,9H2,1-2H3
InChIKeyUCIYWYZLILBGOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
5-Deoxymyricanone (CHEBI:172562) is a biphenyls (CHEBI:22888)
IUPAC Name 
3-hydroxy-16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
Manual XrefsDatabases
10273166ChemSpider
HMDB0030799HMDB