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CHEBI:204723 - Saponaceolide J

ChEBI IDCHEBI:204723
ChEBI NameSaponaceolide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O6
Net Charge0
Average Mass500.676
Monoisotopic Mass500.31379
SMILESC=C1CC[C@@H](CC=C2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1CC=C1CCOC1=O
InChIInChI=1S/C30H44O6/c1-20-7-10-23(26(2,3)24(20)12-9-22-14-18-33-25(22)31)11-8-21-13-15-30(34-19-21)28(6)16-17-29(32,36-30)27(4,5)35-28/h8-9,23-24,32H,1,7,10-19H2,2-6H3/t23-,24-,28-,29-,30-/m0/s1
InChIKeyQTTVDCGWGAUSBO-IHIHHSMVSA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide J (CHEBI:204723) is a ketal (CHEBI:59777)
IUPAC Name 
3-[2-[(1S,3S)-3-[2-[(1S,3S,4S)-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,6'-oxane]-3'-ylidene]ethyl]-2,2-dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one