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CHEBI:152055 - nataloe-emodin(1−)

ChEBI IDCHEBI:152055
ChEBI Namenataloe-emodin(1−)
Stars
ASCII Namenataloe-emodin(1-)
DefinitionA phenolate anion that is the conjugate base of nataloe-emodin, obtained by deprotonation of the phenolic hydroxy group at position 2. Major species at pH 7.3.
Last Modified3 June 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H9O5
Net Charge-1
Average Mass269.232
Monoisotopic Mass269.04555
SMILESCc1cc(O)c2c(c1)C(=O)c1ccc([O-])c(O)c1C2=O
InChIInChI=1S/C15H10O5/c1-6-4-8-11(10(17)5-6)15(20)12-7(13(8)18)2-3-9(16)14(12)19/h2-5,16-17,19H,1H3/p-1
InChIKeyWLOSKKPZIOUGFB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
nataloe-emodin(1−) (CHEBI:152055) is a phenolate anion (CHEBI:50525)
nataloe-emodin(1−) (CHEBI:152055) is conjugate base of nataloe-emodin (CHEBI:152054)
Incoming Relation(s)
nataloe-emodin (CHEBI:152054) is conjugate acid of nataloe-emodin(1−) (CHEBI:152055)
IUPAC Name 
1,8-dihydroxy-6-methyl-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
nataloe emodinUniProt