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CHEBI:72673 - (3S)-versiconol acetate(1−)

Default Structure
ChEBI IDCHEBI:72673
ChEBI Name(3S)-versiconol acetate(1−)
Stars
ASCII Name(3S)-versiconol acetate(1-)
DefinitionAn optically active form of versiconol acetate(1−) having 3S-configuration.
Last Modified4 March 2013
SubmitterKAX
DownloadsMolfile
FormulaC20H17O9
Net Charge-1
Average Mass401.347
Monoisotopic Mass401.08781
SMILESCC(=O)OCC[C@H](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/t9-/m1/s1
InChIKeyBWYUKBCRHDFWFF-SECBINFHSA-M
ChEBI Ontology
Outgoing Relation(s)
(3S)-versiconol acetate(1−) (CHEBI:72673) is a versiconol acetate(1−) (CHEBI:71636)
IUPAC Name 
3-[(2S)-4-acetoxy-1-hydroxybutan-2-yl]-4,5,7-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-olate
UniProt Name  Source
(3S)-versiconol acetateUniProt