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CHEBI:67565 - paraminabeolide F

ChEBI IDCHEBI:67565
ChEBI Nameparaminabeolide F
Stars
DefinitionA withanolide that is 18,22:23,26-diepoxyergosta-1,4-diene substituted by oxo groups at positions 3, 18 and 26. It has been isolated from a Formosan soft coral Paraminabea acronocephala.
Last Modified28 November 2013
DownloadsMolfile
FormulaC28H36O5
Net Charge0
Average Mass452.591
Monoisotopic Mass452.25627
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]13C(=O)O[C@]([H])([C@]4([H])OC(=O)[C@H](C)[C@H]4C)[C@@H](C)[C@@]1([H])CC[C@@]23[H]
InChIInChI=1S/C28H36O5/c1-14-15(2)25(30)32-23(14)24-16(3)20-7-8-22-19-6-5-17-13-18(29)9-11-27(17,4)21(19)10-12-28(20,22)26(31)33-24/h9,11,13-16,19-24H,5-8,10,12H2,1-4H3/t14-,15-,16+,19-,20-,21+,22+,23-,24+,27+,28+/m1/s1
InChIKeyCSYZCEMSEOUURJ-NQRURKCISA-N
Species of MetaboliteComponentSourceComments
Paraminabea acronocephala (WORMS:290662) - PubMed (21425785) Ethanolic extract of minced frozen bodies
Roles Classification
Biological Roles:
coral metabolite  Any animal metabolite produced during a metabolic reaction in corals (marine invertebrates).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
paraminabeolide F (CHEBI:67565) has role coral metabolite (CHEBI:76498)
paraminabeolide F (CHEBI:67565) is a enone (CHEBI:51689)
paraminabeolide F (CHEBI:67565) is a ergostanoid (CHEBI:50403)
paraminabeolide F (CHEBI:67565) is a withanolide (CHEBI:74716)
paraminabeolide F (CHEBI:67565) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(22S,23R,25R)-18,22:23,26-diepoxyergosta-1,4-diene-3,18,26-trione
Registry NumbersSources
Reaxys:21534304Reaxys
Citations