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CHEBI:72670 - (2S)-versicolorone(2−)

Default Structure
ChEBI IDCHEBI:72670
ChEBI Name(2S)-versicolorone(2−)
Stars
ASCII Name(2S)-versicolorone(2-)
DefinitionAn organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone.
Last Modified29 April 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H16O8
Net Charge-2
Average Mass384.340
Monoisotopic Mass384.08561
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-2/t9-/m1/s1
InChIKeyHORUZDQRRJSTED-SECBINFHSA-L
ChEBI Ontology
Outgoing Relation(s)
(2S)-versicolorone(2−) (CHEBI:72670) is a organic anion (CHEBI:25696)
(2S)-versicolorone(2−) (CHEBI:72670) is conjugate base of (2S)-versicolorone(1−) (CHEBI:73281)
Incoming Relation(s)
(2S)-versicolorone(1−) (CHEBI:73281) is conjugate acid of (2S)-versicolorone(2−) (CHEBI:72670)
IUPAC Name 
4,5-dihydroxy-3-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-dioxo-9,10-dihydroanthracene-2,7-diolate
Citations