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CHEBI:2905 - Athamantin

ChEBI IDCHEBI:2905
ChEBI NameAthamantin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H30O7
Net Charge0
Average Mass430.497
Monoisotopic Mass430.19915
SMILES[H][C@]1(C(C)(C)OC(=O)CC(C)C)Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)CC(C)C
InChIInChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1
InChIKeyKPLBOWKEQXYXSD-PKTZIBPZSA-N
ChEBI Ontology
Outgoing Relation(s)
Athamantin (CHEBI:2905) is a furanocoumarin (CHEBI:24128)
Synonym  Source
AthamantinKEGG COMPOUND
Manual XrefsDatabases
C09123KEGG COMPOUND
C00002452KNApSAcK
Registry NumbersSources
CAS:1892-56-4KEGG COMPOUND