CHEBI:169999 - stellatic acid

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ChEBI Name stellatic acid ChEBI ID CHEBI:169999 Definition A sesterterpenoid with formula C25H38O2 which is isolated from the fungus Emericella variecolor. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H38O2 Net Charge 0 Average Mass 370.577 Monoisotopic Mass 370.28718 InChI InChI=1S/C25H38O2/c1-17(2)20-12-16-25(5)21(20)13-15-24(4)14-11-19(23(26)27)8-6-7-18(3)9-10-22(24)25/h7,11,20-22H,1,6,8-10,12-16H2,2-5H3,(H,26,27)/b18-7+,19-11-/t20-,21-,22-,24+,25-/m1/s1 InChIKey FSKFLBQJBSQQKA-DMZCBJAKSA-N SMILES [H][C@]12CC[C@]3(C)C\C=C(\CC\C=C(C)\CC[C@@]3([H])[C@]1(C)CC[C@@H]2C(C)=C)C(O)=O Metabolite of Species Details Aspergillus stellatus (NCBI:txid1549217) Species also known as Emericella variecolor. See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . View more via ChEBI Ontology ChEBI Ontology Outgoing stellatic acid (CHEBI:169999) has role Aspergillus metabolite (CHEBI:76956) stellatic acid (CHEBI:169999) is a carbotricyclic compound (CHEBI:38032) stellatic acid (CHEBI:169999) is a monocarboxylic acid (CHEBI:25384) stellatic acid (CHEBI:169999) is a polycyclic olefin (CHEBI:35714) stellatic acid (CHEBI:169999) is a sesterterpenoid (CHEBI:26660) stellatic acid (CHEBI:169999) is conjugate acid of stellatate (CHEBI:167454) Incoming stellatate (CHEBI:167454) is conjugate base of stellatic acid (CHEBI:169999) IUPAC Name (3S,3aR,5aR,7Z,11E,14aR,14bR)-5a,12,14b-trimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,5a,6,9,10,13,14,14a,14b-tetradecahydrocycloundeca[e]indene-8-carboxylic acid Manual Xrefs Databases 35517211 ChemSpider C21704 KEGG COMPOUND View more database links Citations Types Sources 15612624 PubMed citation Europe PMC 26351860 PubMed citation Europe PMC Last Modified 22 April 2021

General Comment 2021-04-22 Additional Info: https://doi.org/10.1016/S0040-4039(00)93657-8