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CHEBI:199304 - Saponaceolide I

ChEBI IDCHEBI:199304
ChEBI NameSaponaceolide I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O8
Net Charge0
Average Mass560.728
Monoisotopic Mass560.33492
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]1[C@H](C=C1CCOC1=O)OC(C)=O
InChIInChI=1S/C32H48O8/c1-20-8-10-24(28(3,4)26(20)25(38-21(2)33)18-23-13-17-36-27(23)34)11-9-22-12-14-32(37-19-22)30(7)15-16-31(35,40-32)29(5,6)39-30/h18,22,24-26,35H,1,8-17,19H2,2-7H3/t22-,24-,25-,26+,30-,31-,32-/m0/s1
InChIKeyMMWUUCAFIJFPSU-ZNGWUWGRSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide I (CHEBI:199304) is a ketal (CHEBI:59777)
IUPAC Name 
[(1S)-1-[(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-(2-oxooxolan-3-ylidene)ethyl] acetate
Manual XrefsDatabases
78440773ChemSpider