CHEBI:69538 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside

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ChEBI Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
ChEBI ID CHEBI:69538
ChEBI ASCII Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Definition A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. It has been isolated from the roots of Rubia yunnanensis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB3202179, eMolecules:36772339, ZINC000004104829
Download Molfile XML SDF
Formula C28H30O15
Net Charge 0
Average Mass 606.52880
Monoisotopic Mass 606.15847
InChI InChI=1S/C28H30O15/c1-9-16(6-14-18(19(9)32)21(34)12-4-3-11(30)5-13(12)20(14)33)41-28-26(43-27-25(38)22(35)15(31)7-40-27)24(37)23(36)17(42-28)8-39-10(2)29/h3-6,15,17,22-28,30-32,35-38H,7-8H2,1-2H3/t15-,17-,22+,23-,24+,25-,26-,27+,28-/m1/s1
InChIKey JGCFTRKGKNECSV-ZIAPGWQOSA-N
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Rubia yunnanensis (IPNI:765385-1) Found in root (BTO:0001188). Methanolic extract of air dried powdered roots. See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) has functional parent 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone (CHEBI:69519)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) has role plant metabolite (CHEBI:76924)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) is a acetate ester (CHEBI:47622)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) is a dihydroxyanthraquinone (CHEBI:37484)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69538) is a disaccharide derivative (CHEBI:63353)
IUPAC Name
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-acetyl-2-O-β-D-xylopyranosyl-β-D-glucopyranoside
Registry Number Type Source
22020822 Reaxys Registry Number Reaxys
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014