CHEBI:70787 - pentalenolactone D(1−)

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ChEBI Name pentalenolactone D(1−) ChEBI ID CHEBI:70787 ChEBI ASCII Name pentalenolactone D(1-) Definition A monocarboxylic acid anion that is the conjugate base of pentalenolactone D, 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 C15H19O4 Net Charge -1 Average Mass 263.30900 Monoisotopic Mass 263.12888 InChI InChI=1S/C15H20O4/c1-8-13(18)19-6-11-10(12(16)17)4-9-5-14(2,3)7-15(8,9)11/h4,8-9,11H,5-7H2,1-3H3,(H,16,17)/p-1/t8-,9-,11+,15-/m1/s1 InChIKey MRLXXQBBRNRWDA-LIEMUPCESA-M SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)C(=O)OC[C@@]1([H])C(=C2)C([O-])=O ChEBI Ontology Outgoing pentalenolactone D(1−) (CHEBI:70787) is a monocarboxylic acid anion (CHEBI:35757) pentalenolactone D(1−) (CHEBI:70787) is conjugate base of pentalenolactone D (CHEBI:70805) Incoming pentalenolactone D (CHEBI:70805) is conjugate acid of pentalenolactone D(1−) (CHEBI:70787) IUPAC Name (4S,4aR,7aS,9aR)-4,6,6-trimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylate Synonyms Sources pentalenolactone D UniProt pentalenolactone D anion ChEBI Manual Xref Database CPD-13621 MetaCyc View more database links Citation Type Source 21250661 PubMed citation SUBMITTER Last Modified 30 October 2012