CHEBI:70859 - neopentalenolactone D(1−)

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ChEBI Name neopentalenolactone D(1−) ChEBI ID CHEBI:70859 ChEBI ASCII Name neopentalenolactone D(1-) Definition A monocarboxylic acid anion that is the conjugate base of neopentalenolactone 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/c1-8-15-7-14(2,3)6-9(15)4-10(13(17)18)11(15)5-12(16)19-8/h4,8-9,11H,5-7H2,1-3H3,(H,17,18)/p-1/t8-,9+,11-,15+/m0/s1 InChIKey ZMLAXRVFMBEJIF-GCTGHDABSA-M SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)OC(=O)C[C@@]1([H])C(=C2)C([O-])=O ChEBI Ontology Outgoing neopentalenolactone D(1−) (CHEBI:70859) is a monocarboxylic acid anion (CHEBI:35757) neopentalenolactone D(1−) (CHEBI:70859) is conjugate base of neopentalenolactone D (CHEBI:70866) Incoming neopentalenolactone D (CHEBI:70866) is conjugate acid of neopentalenolactone D(1−) (CHEBI:70859) IUPAC Name (1S,4aR,6aS,9aR)-1,8,8-trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylate Synonym Source neopentalenolactone D UniProt Manual Xref Database CPD-13623 MetaCyc View more database links Citation Type Source 21250661 PubMed citation SUBMITTER Last Modified 06 November 2012