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CHEBI:215861 - Saponaceolide F

ChEBI IDCHEBI:215861
ChEBI NameSaponaceolide F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESC=C1CC[C@@H](C/C=C2/CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\C(=O)OC[C@@H]1O
InChIInChI=1S/C30H44O7/c1-19-7-9-21(26(2,3)23(19)12-11-22-24(31)18-34-25(22)32)10-8-20-13-14-30(35-17-20)28(6)15-16-29(33,37-30)27(4,5)36-28/h8,11,21,23-24,31,33H,1,7,9-10,12-18H2,2-6H3/b20-8-,22-11-/t21-,23-,24-,28-,29-,30-/m0/s1
InChIKeyVNSBDFFVDBCTKZ-AXFWPTCLSA-N
Species of MetaboliteComponentSourceComments
Tricholoma saponaceum (ncbitaxon:113602) - PubMed (12499599)
ChEBI Ontology
Outgoing Relation(s)
Saponaceolide F (CHEBI:215861) is a ketal (CHEBI:59777)
IUPAC Name 
(3Z,4R)-4-hydroxy-3-[2-[(1S,3S)-3-[(2Z)-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
Manual XrefsDatabases
78438098ChemSpider