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CHEBI:70789 - pentalenolactone F(1−)

ChEBI IDCHEBI:70789
ChEBI Namepentalenolactone F(1−)
Stars
ASCII Namepentalenolactone F(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of pentalenolactone F, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified31 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H17O5
Net Charge-1
Average Mass277.296
Monoisotopic Mass277.10815
SMILES[H][C@@]12COC(=O)[C@]3(CO3)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)[O-]
InChIInChI=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
InChIKeyUUDKOVSZNMZKND-BDAURDKOSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Synonym  Source
pentalenolactone F anionChEBI
UniProt Name  Source
pentalenolactone FUniProt
Manual XrefsDatabases
CPD-13622MetaCyc
Citations