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CHEBI:225702 - [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxyoxolan-2-yl]methyl acetate

ChEBI IDCHEBI:225702
ChEBI Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxyoxolan-2-yl]methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H24O12
Net Charge0
Average Mass528.466
Monoisotopic Mass528.12678
SMILESCC(=O)OC[C@H]1O[C@H](Oc2cc(O)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C26H24O12/c1-10-5-15-20(17(30)6-10)23(33)21-16(22(15)32)7-14(8-18(21)31)37-26-25(36-13(4)29)24(35-12(3)28)19(38-26)9-34-11(2)27/h5-8,19,24-26,30-31H,9H2,1-4H3/t19-,24-,25-,26+/m1/s1
InChIKeyJLCIYHPKJPRAIQ-BBXSYUKCSA-N
Species of MetaboliteComponentSourceComments
[Malbranchea circinata (ncbitaxon:465702) - PubMed (31898904)
ChEBI Ontology
Outgoing Relation(s)
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxyoxolan-2-yl]methyl acetate (CHEBI:225702) is a anthraquinone (CHEBI:22580)
IUPAC Name 
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-(4,5-dihydroxy-7-methyl-9,10-dioxoanthracen-2-yl)oxyoxolan-2-yl]methyl acetate