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CHEBI:172543 - Menadiol dibutyrate

ChEBI IDCHEBI:172543
ChEBI NameMenadiol dibutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O4
Net Charge0
Average Mass314.381
Monoisotopic Mass314.15181
SMILESCCCC(=O)Oc1cc(C)c(OC(=O)CCC)c2ccccc12
InChIInChI=1S/C19H22O4/c1-4-8-17(20)22-16-12-13(3)19(23-18(21)9-5-2)15-11-7-6-10-14(15)16/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKeyTUWJQNVAGYRRHA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Menadiol dibutyrate (CHEBI:172543) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4-butanoyloxy-3-methylnaphthalen-1-yl) butanoate
Manual XrefsDatabases
37223ChemSpider
HMDB0032726HMDB
Registry NumbersSources
CAS:53370-44-8ChemIDplus