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CHEBI:213388 - 3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione

ChEBI IDCHEBI:213388
ChEBI Name3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28O8
Net Charge0
Average Mass420.458
Monoisotopic Mass420.17842
SMILESCCCCC[C@H](CC1=C(CO)C(=O)OC1=O)C1=C(CC(=O)CCCC)C(=O)OC1=O
InChIInChI=1S/C22H28O8/c1-3-5-7-8-13(10-15-17(12-23)21(27)29-19(15)25)18-16(20(26)30-22(18)28)11-14(24)9-6-4-2/h13,23H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyLEAYMUNMVYVBSI-CYBMUJFWSA-N
Species of MetaboliteComponentSourceComments
Diffractella curvata (ncbitaxon:2819868) - PubMed (34094403)
ChEBI Ontology
Outgoing Relation(s)
3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione (CHEBI:213388) has functional parent tetracarboxylic acid (CHEBI:35742)
3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione (CHEBI:213388) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-4-(hydroxymethyl)uran-2,5-dione