Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 09:51:43 UTC
Update Date2022-08-31 06:46:00 UTC
Metabolite IDMMDBc0019851
Metabolite Identification
Common NamePatientoside A
DescriptionCHEMBL2397917 belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings. Based on a literature review very few articles have been published on CHEMBL2397917.
Structure
SynonymsNot Available
Molecular FormulaC22H24O10
Average Mass448.424
Monoisotopic Mass448.136946973
IUPAC Name(10S)-1,8,10-trihydroxy-3-methoxy-6-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracen-9-one
Traditional Name(10S)-1,8,10-trihydroxy-3-methoxy-6-methyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracen-9-one
CAS Registry NumberNot Available
SMILES
[H][C@]1(CO)O[C@]([H])([C@]([H])(O)[C@@]([H])(O)[C@]1([H])O)[C@]1(O)C2=C(C(O)=CC(C)=C2)C(=O)C2=C1C=C(OC)C=C2O
InChI Identifier
InChI=1S/C22H24O10/c1-8-3-10-15(12(24)4-8)18(27)16-11(5-9(31-2)6-13(16)25)22(10,30)21-20(29)19(28)17(26)14(7-23)32-21/h3-6,14,17,19-21,23-26,28-30H,7H2,1-2H3/t14-,17-,19+,20-,21-,22+/m1/s1
InChI KeyYRIBLYNKVATTRE-RURWLCLQSA-N