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CHEBI:77933 - (S)-5'-oxoaverantin(1−)

ChEBI IDCHEBI:77933
ChEBI Name(S)-5'-oxoaverantin(1−)
Stars
ASCII Name(S)-5'-oxoaverantin(1-)
DefinitionA phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-5'-oxoaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 June 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H17O8
Net Charge-1
Average Mass385.348
Monoisotopic Mass385.09289
SMILESCC(=O)CCC[C@H](O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O
InChIInChI=1S/C20H18O8/c1-8(21)3-2-4-12(23)17-14(25)7-11-16(20(17)28)19(27)15-10(18(11)26)5-9(22)6-13(15)24/h5-7,12,22-25,28H,2-4H2,1H3/p-1/t12-/m0/s1
InChIKeyJJDSVOQKAOJVOK-LBPRGKRZSA-M
ChEBI Ontology
Outgoing Relation(s)
(S)-5'-oxoaverantin(1−) (CHEBI:77933) is a phenolate anion (CHEBI:50525)
(S)-5'-oxoaverantin(1−) (CHEBI:77933) is conjugate base of (S)-5'-oxoaverantin (CHEBI:71649)
Incoming Relation(s)
(S)-5'-oxoaverantin (CHEBI:71649) is conjugate acid of (S)-5'-oxoaverantin(1−) (CHEBI:77933)
IUPAC Name 
4,5,7-trihydroxy-6-[(1S)-1-hydroxy-5-oxohexyl]-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
(S)-5'-oxoaverantinUniProt
Citations