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CHEBI:198551 - Australifunginol

ChEBI IDCHEBI:198551
ChEBI NameAustralifunginol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38O6
Net Charge0
Average Mass410.551
Monoisotopic Mass410.26684
SMILESCCCCCC[C@@H](C)C1=C(O)C(=O)[C@@H]2[C@H](O)[C@H](C)C[C@H](O)[C@H]2[C@]1(C)C(=O)CCO
InChIInChI=1S/C23H38O6/c1-5-6-7-8-9-13(2)18-22(29)21(28)17-19(15(25)12-14(3)20(17)27)23(18,4)16(26)10-11-24/h13-15,17,19-20,24-25,27,29H,5-12H2,1-4H3/t13-,14-,15+,17+,19-,20-,23-/m1/s1
InChIKeySIPMDGHVOPMZQY-VLBDLMECSA-N
Species of MetaboliteComponentSourceComments
Preussia australis (ncbitaxon:55178) - DOI (10.1021/jo00111a040)
ChEBI Ontology
Outgoing Relation(s)
Australifunginol (CHEBI:198551) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Manual XrefsDatabases
4440359ChemSpider