CHEBI:69537 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside

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ChEBI Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
ChEBI ID CHEBI:69537
ChEBI ASCII Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Definition A disaccharide derivative that is 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone attached to a α-L-rhamnopyranosyl-(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 C27H30O14
Net Charge 0
Average Mass 578.51870
Monoisotopic Mass 578.16356
InChI InChI=1S/C27H30O14/c1-8-14(6-13-16(17(8)30)20(33)11-4-3-10(29)5-12(11)19(13)32)39-27-25(23(36)21(34)15(7-28)40-27)41-26-24(37)22(35)18(31)9(2)38-26/h3-6,9,15,18,21-31,34-37H,7H2,1-2H3/t9-,15+,18-,21+,22+,23-,24+,25+,26-,27+/m0/s1
InChIKey UMBHTGLJTANWCB-ICXAYODDSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc3C(=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.
(via 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69537) 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-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69537) has role plant metabolite (CHEBI:76924)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69537) is a dihydroxyanthraquinone (CHEBI:37484)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69537) is a disaccharide derivative (CHEBI:63353)
Synonym Source
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside ChEBI
Registry Number Type Source
5687770 Reaxys Registry Number Reaxys
Citation Type Source
21973054 PubMed citation Europe PMC
Last Modified
09 January 2014