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CHEBI:208331 - Saponaceolide P

ChEBI IDCHEBI:208331
ChEBI NameSaponaceolide P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
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]1C(=O)CC1=CCOC1=O
InChIInChI=1S/C30H42O8/c1-18-7-9-21(26(2,3)24(18)22(31)15-20-12-14-35-25(20)33)10-8-19-11-13-29(36-17-19)28(6)16-23(32)30(34,38-29)27(4,5)37-28/h12,19,21,24,34H,1,7-11,13-17H2,2-6H3/t19-,21-,24+,28-,29-,30-/m0/s1
InChIKeyRKOHLMOXQGQRJM-YSGGVZHISA-N
Species of MetaboliteComponentSourceComments
Tricholoma terreum (ncbitaxon:76328) - PubMed (24753190)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide P (CHEBI:208331) is a ketal (CHEBI:59777)
IUPAC Name 
(1R,3S,4S,5'S)-5'-[2-[(1R,3S)-2,2-dimethyl-4-methylidene-3-[2-(5-oxo-2H-uran-4-yl)acetyl]cyclohexyl]ethyl]-1-hydroxy-4,6,6-trimethylspiro[2,5-dioxabicyclo[2.2.2]octane-3,2'-oxane]-7-one
Manual XrefsDatabases
78441476ChemSpider