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CHEBI:145993 - desertorin A(1−)

ChEBI IDCHEBI:145993
ChEBI Namedesertorin A(1−)
Stars
ASCII Namedesertorin A(1-)
DefinitionA phenolate anion that is the conjugate base of desertorin A, obtained by deprotonation of 7-hydroxy group of desertorin A. It is the major microspecies at pH 7.3.
Last Modified5 February 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H17O8
Net Charge-1
Average Mass409.370
Monoisotopic Mass409.09289
SMILESCOc1cc(=O)oc2cc([O-])c(-c3c(O)cc(C)c4c(OC)cc(=O)oc34)c(C)c12
InChIInChI=1S/C22H18O8/c1-9-5-11(23)21(22-18(9)13(27-3)7-17(26)30-22)19-10(2)20-14(28-4)8-16(25)29-15(20)6-12(19)24/h5-8,23-24H,1-4H3/p-1
InChIKeyPRMZXICFBUXBCX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
desertorin A(1−) (CHEBI:145993) is a phenolate anion (CHEBI:50525)
desertorin A(1−) (CHEBI:145993) is conjugate base of desertorin A (CHEBI:146002)
Incoming Relation(s)
desertorin A (CHEBI:146002) is conjugate acid of desertorin A(1−) (CHEBI:145993)
Synonyms  Source
desertorin A anionChEBI
M-desertorin A(1−)ChEBI
UniProt Name  Source
desertorin AUniProt
Citations