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CHEBI:225707 - [(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate

ChEBI IDCHEBI:225707
ChEBI Name[(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O11
Net Charge0
Average Mass486.429
Monoisotopic Mass486.11621
SMILESCC(=O)O[C@H]1[C@@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)O[C@H](CO)[C@H]1OC(C)=O
InChIInChI=1S/C24H22O11/c1-9-4-13-18(15(28)5-9)21(31)19-14(20(13)30)6-12(7-16(19)29)34-24-23(33-11(3)27)22(32-10(2)26)17(8-25)35-24/h4-7,17,22-25,28-29H,8H2,1-3H3/t17-,22-,23-,24+/m1/s1
InChIKeyMJSVWJONQWKXJY-BMZZKGLRSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea circinata (ncbitaxon:465702) - PubMed (31898904)
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate (CHEBI:225707) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[(2R,3R,4R,5R)-4-acetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxy-2-(hydroxymethyl)oxolan-3-yl] acetate