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CHEBI:89486 - 5C-aglycone

ChEBI IDCHEBI:89486
ChEBI Name5C-aglycone
Stars
Last Modified7 June 2016
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCC1=C(CCC(C)C(=O)O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKeyALLYVKRLOHDVKI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (17585028)
ChEBI Ontology
Outgoing Relation(s)
5C-aglycone (CHEBI:89486) is a 1,4-naphthoquinones (CHEBI:132142)
Synonyms  Source
2-methyl-4-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butanoic acidHMDB
2-Methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinoneHMDB
2-Methyl-3-(3-carboxybutyl)-1,4-naphthoquinoneHMDB
2-Methyl-3-(3'-carboxy-3'-methylpropyl)-1,4-naphthoquinoneHMDB
1,4-Dihydro-a,3-dimethyl-1,4-dioxo-2-NaphthalenebutanoateHMDB
1,4-Dihydro-a,3-dimethyl-1,4-dioxo-2-Naphthalenebutanoic acidHMDB
Manual XrefsDatabases
HMDB0004810HMDB
Registry NumbersSources
CAS:34927-45-2KEGG COMPOUND
Citations