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CHEBI:5606 - Hallactone A

ChEBI IDCHEBI:5606
ChEBI NameHallactone A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILES[H][C@]12O[C@@]1([H])[C@H](O)[C@]1(C)C(=O)O[C@]3([H])Cc4c(cc(=O)oc4C(C)C)[C@]2(C)[C@@]31[H]
InChIInChI=1S/C19H22O6/c1-7(2)12-8-5-10-14-18(3,9(8)6-11(20)24-12)16-13(25-16)15(21)19(14,4)17(22)23-10/h6-7,10,13-16,21H,5H2,1-4H3/t10-,13+,14-,15+,16+,18-,19-/m1/s1
InChIKeyWXJASYTWXBVSQZ-UOMNFSLCSA-N
ChEBI Ontology
Outgoing Relation(s)
Hallactone A (CHEBI:5606) is a organic heterotricyclic compound (CHEBI:26979)
Hallactone A (CHEBI:5606) is a organooxygen compound (CHEBI:36963)
Synonym  Source
Hallactone AKEGG COMPOUND
Manual XrefsDatabases
C09104KEGG COMPOUND
C00000276KNApSAcK
Registry NumbersSources
CAS:41787-72-8KEGG COMPOUND