EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175455 - 7'-Carboxy-alpha-chromanol

ChEBI IDCHEBI:175455
ChEBI Name7'-Carboxy-alpha-chromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O4
Net Charge0
Average Mass348.483
Monoisotopic Mass348.23006
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)CCC(=O)O)O2
InChIInChI=1S/C21H32O4/c1-13(8-9-18(22)23)7-6-11-21(5)12-10-17-16(4)19(24)14(2)15(3)20(17)25-21/h13,24H,6-12H2,1-5H3,(H,22,23)/t13?,21-/m1/s1
InChIKeyRXYXCDMLSTZSRY-QUXALOBESA-N
ChEBI Ontology
Outgoing Relation(s)
7'-Carboxy-alpha-chromanol (CHEBI:175455) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
7-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4-methylheptanoic acid
Manual XrefsDatabases
HMDB0012848HMDB
35032549ChemSpider