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CHEBI:73281 - (2S)-versicolorone(1−)

Default Structure
ChEBI IDCHEBI:73281
ChEBI Name(2S)-versicolorone(1−)
Stars
ASCII Name(2S)-versicolorone(1-)
DefinitionAn organic anion obtained by selective deprotonation of the 2-hydroxy group of (2S)-versicolorone.
Last Modified29 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H17O8
Net Charge-1
Average Mass385.348
Monoisotopic Mass385.09289
SMILESCC(=O)CC[C@H](CO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H18O8/c1-8(22)2-3-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3/p-1/t9-/m1/s1
InChIKeyHORUZDQRRJSTED-SECBINFHSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S)-versicolorone(1−) (CHEBI:73281) is a organic anion (CHEBI:25696)
(2S)-versicolorone(1−) (CHEBI:73281) is conjugate acid of (2S)-versicolorone(2−) (CHEBI:72670)
(2S)-versicolorone(1−) (CHEBI:73281) is conjugate base of (2S)-versicolorone (CHEBI:72707)
Incoming Relation(s)
(2S)-versicolorone (CHEBI:72707) is conjugate acid of (2S)-versicolorone(1−) (CHEBI:73281)
(2S)-versicolorone(2−) (CHEBI:72670) is conjugate base of (2S)-versicolorone(1−) (CHEBI:73281)
IUPAC Name 
4,5,7-trihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
(2S)-versicoloroneUniProt