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CHEBI:197740 - Saponaceolide O

ChEBI IDCHEBI:197740
ChEBI NameSaponaceolide O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESC=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C(=O)CC1=CCOC1=O
InChIInChI=1S/C30H44O7/c1-19-7-9-22(26(2,3)24(19)23(31)17-21-12-16-34-25(21)32)10-8-20-11-13-30(35-18-20)28(6)14-15-29(33,37-30)27(4,5)36-28/h12,20,22,24,33H,1,7-11,13-18H2,2-6H3/t20-,22-,24+,28-,29-,30-/m0/s1
InChIKeyRIYGWMAOYLEGET-OAKOWURQSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide O (CHEBI:197740) is a ketal (CHEBI:59777)
IUPAC Name 
4-[2-[(1S,3R)-3-[2-[(1S,3S,3'S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-yl]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]-2-oxoethyl]-2H-uran-5-one
Manual XrefsDatabases
78440691ChemSpider