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CHEBI:172549 - 5'-Carboxy-alpha-chromanol

ChEBI IDCHEBI:172549
ChEBI Name5'-Carboxy-alpha-chromanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O4
Net Charge0
Average Mass320.429
Monoisotopic Mass320.19876
SMILESCc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCC(C)C(=O)O)O2
InChIInChI=1S/C19H28O4/c1-11(18(21)22)7-6-9-19(5)10-8-15-14(4)16(20)12(2)13(3)17(15)23-19/h11,20H,6-10H2,1-5H3,(H,21,22)/t11?,19-/m1/s1
InChIKeyQWPNLVBAEZJBMI-IMFVZPHKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
5'-Carboxy-alpha-chromanol (CHEBI:172549) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
5-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2-methylpentanoic acid
Manual XrefsDatabases
HMDB0012798HMDB
35032548ChemSpider