CHEBI:2905 - Athamantin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Athamantin
ChEBI ID CHEBI:2905
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H30O7
Net Charge 0
Average Mass 430.492
Monoisotopic Mass 430.19915
InChI InChI=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
InChIKey KPLBOWKEQXYXSD-PKTZIBPZSA-N
SMILES CC(C)CC(=O)O[C@H]1[C@H](Oc2ccc3ccc(=O)oc3c12)C(C)(C)OC(=O)CC(C)C
ChEBI Ontology
Outgoing Athamantin (CHEBI:2905) is a furanocoumarin (CHEBI:24128)
Synonym Source
Athamantin KEGG COMPOUND
Manual Xrefs Databases
C00002452 KNApSAcK
C09123 KEGG COMPOUND
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Registry Number Type Source
1892-56-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014