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CHEBI:145840 - ustilaginoidin A(2−)

ChEBI IDCHEBI:145840
ChEBI Nameustilaginoidin A(2−)
Stars
ASCII Nameustilaginoidin A(2-)
DefinitionA phenolate anion that is the conjugate base of ustilaginoidin A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5'. It is the major microspecies at pH 7.3.
Last Modified6 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H16O10
Net Charge-2
Average Mass512.426
Monoisotopic Mass512.07544
SMILESCc1cc(=O)c2c([O-])c3c(O)cc(O)c(-c4c(O)cc(O)c5c([O-])c6c(=O)cc(C)oc6cc45)c3cc2o1
InChIInChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,31-36H,1-2H3/p-2
InChIKeyGCSBLYZTGOQVPI-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
ustilaginoidin A(2−) (CHEBI:145840) is a phenolate anion (CHEBI:50525)
ustilaginoidin A(2−) (CHEBI:145840) is conjugate base of ustilaginoidin A (CHEBI:146013)
Incoming Relation(s)
ustilaginoidin A (CHEBI:146013) is conjugate acid of ustilaginoidin A(2−) (CHEBI:145840)
IUPAC Name 
6,6',8,8'-tetrahydroxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[9,9'-bibenzo[g]chromene]-5,5'-bis(olate)
Synonyms  Source
ustilaginoidin A dianionChEBI
6,6',8,8'-tetrahydroxy-2,2'-dimethyl-4,4'-dioxo-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-5,5'-bis(olate)IUPAC
UniProt Name  Source
ustilaginoidin AUniProt
Citations