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CHEBI:167684 - asnovolin I(1−)

ChEBI IDCHEBI:167684
ChEBI Nameasnovolin I(1−)
Stars
ASCII Nameasnovolin I(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of asnovolin I resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified9 April 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC25H33O6
Net Charge-1
Average Mass429.533
Monoisotopic Mass429.22826
SMILES[H][C@@]12CC[C@H](C)[C@@]3(C[C@]4(C)C(C)=C(C(=O)[O-])C(=O)C(C)=C4O3)[C@@]1(C)CCC(=O)OC2(C)C
InChIInChI=1S/C25H34O6/c1-13-8-9-16-22(4,5)30-17(26)10-11-24(16,7)25(13)12-23(6)15(3)18(21(28)29)19(27)14(2)20(23)31-25/h13,16H,8-12H2,1-7H3,(H,28,29)/p-1/t13-,16-,23+,24-,25-/m0/s1
InChIKeyCQIYAXMUJHIADR-CQOOHDILSA-M
ChEBI Ontology
Outgoing Relation(s)
asnovolin I(1−) (CHEBI:167684) is a monocarboxylic acid anion (CHEBI:35757)
asnovolin I(1−) (CHEBI:167684) is conjugate base of asnovolin I (CHEBI:167909)
Incoming Relation(s)
asnovolin I (CHEBI:167909) is conjugate acid of asnovolin I(1−) (CHEBI:167684)
IUPAC Name 
(2S,3aR,5a'S,7'S,9a'R)-1',1',3a,4,5a',7,7'-heptamethyl-3',6-dioxo-3',3a,4',5',5a',6,7',8',9',9a'-decahydro-1'H,3H-spiro[[1]benzofuran-2,6'-[2]benzoxepine]-5-carboxylate
Synonym  Source
asnovolin I anionChEBI
UniProt Name  Source
asnovolin IUniProt
Citations