EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203338 - Austinoneol

ChEBI IDCHEBI:203338
ChEBI NameAustinoneol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O6
Net Charge0
Average Mass414.498
Monoisotopic Mass414.20424
SMILESC=C1[C@]2(C(=O)OC)C(=O)[C@@H](O)[C@@]1(C)CC1=C(C)[C@@]3(C=CC(=O)OC3(C)C)CC[C@]12C
InChIInChI=1S/C24H30O6/c1-13-15-12-21(5)14(2)24(19(28)29-7,18(27)17(21)26)22(15,6)10-11-23(13)9-8-16(25)30-20(23,3)4/h8-9,17,26H,2,10-12H2,1,3-7H3/t17-,21+,22-,23-,24-/m1/s1
InChIKeyRVCGYSNUNXICAF-BFYKDQAASA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1590/s0103-50532003000500004)
ChEBI Ontology
Outgoing Relation(s)
Austinoneol (CHEBI:203338) is a pyranone (CHEBI:37963)
IUPAC Name 
methyl (1'R,2'R,3S,9'S,10'S)-10'-hydroxy-2,2,2',6',9'-pentamethyl-12'-methylidene-6,11'-dioxospiro[pyran-3,5'-tricyclo[7.2.1.02,7]dodec-6-ene]-1'-carboxylate
Manual XrefsDatabases
78441899ChemSpider