EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45424 - 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID

Default Structure
ChEBI IDCHEBI:45424
ChEBI Name9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
Stars
DownloadsMolfile
FormulaC19H24O3
Net Charge0
Average Mass300.398
Monoisotopic Mass300.17254
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(/C([H])=C([H])/C([H])=C(C(/[H])=C(\[H])c1c(C([H])([H])[H])c([H])c(O[H])c([H])c1C([H])([H])[H])\C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C19H24O3/c1-13(6-5-7-14(2)10-19(21)22)8-9-18-15(3)11-17(20)12-16(18)4/h5-9,11-12,14,20H,10H2,1-4H3,(H,21,22)/b7-5+,9-8+,13-6+/t14-/m1/s1
InChIKeyNGRFDFMAPACMPF-IAYLVMQDSA-N
ChEBI Ontology
Outgoing Relation(s)
9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID (CHEBI:45424) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3S,4E,6E,8E)-9-(4-hydroxy-2,6-dimethylphenyl)-3,7-dimethylnona-4,6,8-trienoic acidPDBeChem
9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACIDPDBeChem
Manual XrefsDatabases
R12PDBeChem