Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 06:38:59 UTC
Update Date2022-08-31 06:39:56 UTC
Metabolite IDMMDBc0015885
Metabolite Identification
Common NameVersiconol
Description(S)-versiconol belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group (S)-versiconol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Synonyms
ValueSource
VersiconolMeSH
Molecular FormulaC18H16O8
Average Mass360.318
Monoisotopic Mass360.084517475
IUPAC Name2-[(2S)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione
Traditional Name2-[(2S)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione
CAS Registry NumberNot Available
SMILES
[H][C@](CO)(CCO)C1=C(O)C=C2C(=O)C3=C(C(O)=CC(O)=C3)C(=O)C2=C1O
InChI Identifier
InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2/t7-/m1/s1
InChI KeyZLIRCPWCWHTYNP-SSDOTTSWSA-N