EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7713 - Obacunone

ChEBI IDCHEBI:7713
ChEBI NameObacunone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)C=C[C@]21C
InChIInChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
InChIKeyMAYJEFRPIKEYBL-OASIGRBWSA-N
ChEBI Ontology
Outgoing Relation(s)
Obacunone (CHEBI:7713) is a limonoid (CHEBI:39434)
Synonym  Source
ObacunoneKEGG COMPOUND
Manual XrefsDatabases
C08775KEGG COMPOUND
C00003723KNApSAcK
Registry NumbersSources
CAS:751-03-1KEGG COMPOUND