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CHEBI:201164 - Saponaceolide N

ChEBI IDCHEBI:201164
ChEBI NameSaponaceolide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H46O9
Net Charge0
Average Mass574.711
Monoisotopic Mass574.31418
SMILESC=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)C(=O)C[C@]3(C)OC2(C)C)C(C)(C)[C@H]1[C@H](C=C1CCOC1=O)OC(C)=O
InChIInChI=1S/C32H46O9/c1-19-8-10-23(28(3,4)26(19)24(39-20(2)33)16-22-13-15-37-27(22)35)11-9-21-12-14-31(38-18-21)30(7)17-25(34)32(36,41-31)29(5,6)40-30/h16,21,23-24,26,36H,1,8-15,17-18H2,2-7H3/t21-,23+,24+,26-,30+,31+,32+/m1/s1
InChIKeyCGNKJJBWOWSOJZ-BFSORSSESA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide N (CHEBI:201164) is a ketal (CHEBI:59777)
IUPAC Name 
[(1S)-1-[(1S,3R)-3-[2-[(1R,3S,3'R,4S)-1-hydroxy-4,6,6-trimethyl-7-oxospiro[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
78440851ChemSpider