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CHEBI:213395 - 4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid

ChEBI IDCHEBI:213395
ChEBI Name4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O9
Net Charge0
Average Mass436.457
Monoisotopic Mass436.17333
SMILESCCCCC[C@H](CC1=C(C(=O)O)C(O)OC1=O)C1=C(CC(=O)CCCC)C(=O)OC1=O
InChIInChI=1S/C22H28O9/c1-3-5-7-8-12(10-14-17(18(24)25)22(29)31-19(14)26)16-15(20(27)30-21(16)28)11-13(23)9-6-4-2/h12,22,29H,3-11H2,1-2H3,(H,24,25)/t12-,22?/m1/s1
InChIKeyDRGWSKBRJPFAJT-PMOHQLOOSA-N
Species of MetaboliteComponentSourceComments
Diffractella curvata (ncbitaxon:2819868) - PubMed (34094403)
ChEBI Ontology
Outgoing Relation(s)
4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid (CHEBI:213395) has functional parent tetracarboxylic acid (CHEBI:35742)
4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid (CHEBI:213395) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid