EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225629 - A-503451 D

ChEBI IDCHEBI:225629
ChEBI NameA-503451 D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO4
Net Charge0
Average Mass333.428
Monoisotopic Mass333.19401
SMILESCOC[C@@]1(CCC(C)=C(C)C)Nc2ccc(C(=O)O)cc2C[C@H]1O
InChIInChI=1S/C19H27NO4/c1-12(2)13(3)7-8-19(11-24-4)17(21)10-15-9-14(18(22)23)5-6-16(15)20-19/h5-6,9,17,20-21H,7-8,10-11H2,1-4H3,(H,22,23)/t17-,19-/m1/s1
InChIKeyUPPKBBHOCCCWOG-IEBWSBKVSA-N
ChEBI Ontology
Outgoing Relation(s)
A-503451 D (CHEBI:225629) is a quinolines (CHEBI:26513)
IUPAC Name 
(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
Manual XrefsDatabases
78438773ChemSpider