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CHEBI:225682 - 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione

ChEBI IDCHEBI:225682
ChEBI Name3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O9
Net Charge0
Average Mass402.355
Monoisotopic Mass402.09508
SMILESCc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(O)c1C2=O
InChIInChI=1S/C20H18O9/c1-7-2-9-14(11(22)3-7)18(26)15-10(16(9)24)4-8(5-12(15)23)28-20-19(27)17(25)13(6-21)29-20/h2-5,13,17,19-23,25,27H,6H2,1H3/t13-,17-,19-,20+/m1/s1
InChIKeyAMLHPEKHAAPTGM-HSGBFHSBSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea circinata (ncbitaxon:465702) - PubMed (31898904)
ChEBI Ontology
Outgoing Relation(s)
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione (CHEBI:225682) is a anthraquinone (CHEBI:22580)
IUPAC Name 
3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1,8-dihydroxy-6-methylanthracene-9,10-dione