CHEBI:69536 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside
ChEBI ID CHEBI:69536
ChEBI ASCII Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-glucopyranoside
Definition A monosaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a (6ʼ-O-acetyl)-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 ZINC000072142408
Download Molfile XML SDF
Formula C23H22O11
Net Charge 0
Average Mass 474.41420
Monoisotopic Mass 474.11621
InChI InChI=1S/C23H22O11/c1-8-14(33-23-22(31)21(30)20(29)15(34-23)7-32-9(2)24)6-13-16(17(8)26)19(28)11-4-3-10(25)5-12(11)18(13)27/h3-6,15,20-23,25-26,29-31H,7H2,1-2H3/t15-,20-,21+,22-,23-/m1/s1
InChIKey NZFWKPNBKZRWCW-NOGCDZMRSA-N
SMILES CC(=O)OC[C@H]1O[C@@H](Oc2cc3C(=O)c4cc(O)ccc4C(=O)c3c(O)c2C)[C@H](O)[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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) 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-glucopyranoside (CHEBI:69536) has role plant metabolite (CHEBI:76924)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) is a β-D-glucoside (CHEBI:22798)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) is a acetate ester (CHEBI:47622)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) is a dihydroxyanthraquinone (CHEBI:37484)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6ʼ-O-acetyl)-β-D-glucopyranoside (CHEBI:69536) is a monosaccharide derivative (CHEBI:63367)
IUPAC Name
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 6-O-acetyl-β-D-glucopyranoside
Synonym Source
1,3,6-Tmaqag ChemIDplus
Registry Numbers Types Sources
132367-98-7 CAS Registry Number ChemIDplus
22020815 Reaxys Registry Number Reaxys
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014