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CHEBI:182134 - (Betar)-6-(2,6-Dideoxy-beta-D-glucopyranosyl)-9,10-dihydro-beta,1,5-trihydroxy-beta-methyl-9,10-dioxoanthracene-2-butanoic acid

ChEBI IDCHEBI:182134
ChEBI Name(Betar)-6-(2,6-Dideoxy-beta-D-glucopyranosyl)-9,10-dihydro-beta,1,5-trihydroxy-beta-methyl-9,10-dioxoanthracene-2-butanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O10
Net Charge0
Average Mass486.473
Monoisotopic Mass486.15260
SMILES[H][C@]1(c2ccc3c(c2O)C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C25H26O10/c1-10-20(29)15(26)7-16(35-10)12-5-6-14-19(22(12)31)24(33)13-4-3-11(21(30)18(13)23(14)32)8-25(2,34)9-17(27)28/h3-6,10,15-16,20,26,29-31,34H,7-9H2,1-2H3,(H,27,28)/t10-,15-,16-,20-,25-/m1/s1
InChIKeyLKLNNJGYAYDANM-VRSSYPSJSA-N
ChEBI Ontology
Outgoing Relation(s)
(Betar)-6-(2,6-Dideoxy-beta-D-glucopyranosyl)-9,10-dihydro-beta,1,5-trihydroxy-beta-methyl-9,10-dioxoanthracene-2-butanoic acid (CHEBI:182134) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
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