CHEBI:5606 - Hallactone A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Hallactone A
ChEBI ID CHEBI:5606
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H22O6
Net Charge 0
Average Mass 346.375
Monoisotopic Mass 346.14164
InChI InChI=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
InChIKey WXJASYTWXBVSQZ-UOMNFSLCSA-N
SMILES CC(C)c1oc(=O)cc2c1C[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O
ChEBI Ontology
Outgoing Hallactone A (CHEBI:5606) is a organic heterotricyclic compound (CHEBI:26979)
Hallactone A (CHEBI:5606) is a organooxygen compound (CHEBI:36963)
Synonym Source
Hallactone A KEGG COMPOUND
Manual Xrefs Databases
C00000276 KNApSAcK
C09104 KEGG COMPOUND
View more database links
Registry Number Type Source
41787-72-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014