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CHEBI:189982 - 7'-Carboxy-gamma-chromanol

ChEBI IDCHEBI:189982
ChEBI Name7'-Carboxy-gamma-chromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC(=O)O)CC2
InChIInChI=1S/C20H30O4/c1-13(7-8-18(22)23)6-5-10-20(4)11-9-16-12-17(21)14(2)15(3)19(16)24-20/h12-13,21H,5-11H2,1-4H3,(H,22,23)/t13-,20-/m1/s1
InChIKeyJFXDIXKMINYLIK-ZUOKHONESA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
7'-Carboxy-gamma-chromanol (CHEBI:189982) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(4R)-7-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-4-methylheptanoic acid
Manual XrefsDatabases
HMDB0012850HMDB
30776657ChemSpider