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CHEBI:225693 - Chrysophanol O-3'-acetyl-alpha-D-ribofuranoside

ChEBI IDCHEBI:225693
ChEBI NameChrysophanol O-3'-acetyl-alpha-D-ribofuranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCC(=O)O[C@H]1[C@@H](O)[C@@H](Oc2cccc3c2C(=O)c2c(O)cc(C)cc2C3=O)O[C@@H]1CO
InChIInChI=1S/C22H20O9/c1-9-6-12-16(13(25)7-9)19(27)17-11(18(12)26)4-3-5-14(17)30-22-20(28)21(29-10(2)24)15(8-23)31-22/h3-7,15,20-23,25,28H,8H2,1-2H3/t15-,20-,21-,22+/m1/s1
InChIKeyWNFWPHLTBAFAAA-FJGOKHBRSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea circinata (ncbitaxon:465702) - PubMed (31898904)
ChEBI Ontology
Outgoing Relation(s)
Chrysophanol O-3'-acetyl-alpha-D-ribofuranoside (CHEBI:225693) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[(2R,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(8-hydroxy-6-methyl-9,10-dioxoanthracen-1-yl)oxyoxolan-3-yl] acetate