CHEBI:146001 - aurasperone A(2−)

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ChEBI Name aurasperone A(2−) ChEBI ID CHEBI:146001 ChEBI ASCII Name aurasperone A(2-) Definition A phenolate anion that is the conjugate base of aurasperone A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5'. It is the major microspecies at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C32H24O10 Net Charge -2 Average Mass 568.535 Monoisotopic Mass 568.13804 InChI InChI=1S/C32H26O10/c1-13-7-18(33)26-22(41-13)10-15-9-20(38-4)28(31(40-6)23(15)29(26)35)25-17-11-16(37-3)12-21(39-5)24(17)30(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3/p-2 InChIKey QAHRSPAZSGMZMT-UHFFFAOYSA-L SMILES O1C2=C(C3=C(OC)C=4C(C=C3OC)=CC=5OC(=CC(=O)C5C4[O-])C)C6=C(C([O-])=C2C(=O)C=C1C)C(OC)=CC(OC)=C6 ChEBI Ontology Outgoing aurasperone A(2−) (CHEBI:146001) is a phenolate anion (CHEBI:50525) aurasperone A(2−) (CHEBI:146001) is conjugate base of aurasperone A (CHEBI:133760) Incoming aurasperone A (CHEBI:133760) is conjugate acid of aurasperone A(2−) (CHEBI:146001) IUPAC Name 6,6',8,8'-tetramethoxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[7,10'-bibenzo[g]chromene]-5,5'-bis(olate) Synonyms Sources 6,6',8,8'-tetramethoxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[7,10'-binaphtho[2,3-b]pyran]-5,5'-bis(olate) IUPAC aurasperone A UniProt aurasperone A dianion ChEBI Citation Type Source 16155971 PubMed citation Europe PMC Last Modified 29 July 2021