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CHEBI:71636 - versiconol acetate(1−)

Default Structure
ChEBI IDCHEBI:71636
ChEBI Nameversiconol acetate(1−)
Stars
ASCII Nameversiconol acetate(1-)
DefinitionAn organic anion that is the conjugate base of versiconol acetate, obtained by selective deprotonation of the 2-hydroxy group.
Last Modified1 March 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H17O9
Net Charge-1
Average Mass401.347
Monoisotopic Mass401.08781
SMILESCC(=O)OCCC(CO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H18O9/c1-8(22)29-3-2-9(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
InChIKeyBWYUKBCRHDFWFF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
versiconol acetate(1−) (CHEBI:71636) is a organic anion (CHEBI:25696)
versiconol acetate(1−) (CHEBI:71636) is conjugate base of versiconol acetate (CHEBI:71657)
Incoming Relation(s)
(3S)-versiconol acetate(1−) (CHEBI:72673) is a versiconol acetate(1−) (CHEBI:71636)
versiconol acetate (CHEBI:71657) is conjugate acid of versiconol acetate(1−) (CHEBI:71636)
IUPAC Name 
3-(4-acetoxy-1-hydroxybutan-2-yl)-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
versiconol acetateUniProt
Manual XrefsDatabases
CPD-10172MetaCyc
Citations