CHEBI:70789 - pentalenolactone F(1−)

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ChEBI Name pentalenolactone F(1−) ChEBI ID CHEBI:70789 ChEBI ASCII Name pentalenolactone F(1-) Definition A monocarboxylic acid anion that is the conjugate base of pentalenolactone F, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C15H17O5 Net Charge -1 Average Mass 277.29250 Monoisotopic Mass 277.10815 InChI InChI=1S/C15H18O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h3,8,10H,4-7H2,1-2H3,(H,16,17)/p-1/t8-,10+,14-,15-/m1/s1 InChIKey UUDKOVSZNMZKND-BDAURDKOSA-M SMILES [H][C@@]12CC(C)(C)C[C@]11[C@@]([H])(COC(=O)[C@]11CO1)C(=C2)C([O-])=O ChEBI Ontology Outgoing pentalenolactone F(1−) (CHEBI:70789) is a monocarboxylic acid anion (CHEBI:35757) pentalenolactone F(1−) (CHEBI:70789) is conjugate base of pentalenolactone F (CHEBI:70809) Incoming pentalenolactone F (CHEBI:70809) is conjugate acid of pentalenolactone F(1−) (CHEBI:70789) IUPAC Name (2R,4a'R,7a'S,9a'R)-6',6'-dimethyl-3'-oxo-1',5',6',7',7a',9a'-hexahydrospiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylate Synonyms Sources pentalenolactone F UniProt pentalenolactone F anion ChEBI Manual Xref Database CPD-13622 MetaCyc View more database links Citation Type Source 21284395 PubMed citation SUBMITTER Last Modified 31 October 2012