1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:69538)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Take structure to advanced search

ChEBI ID	CHEBI:69538
ChEBI Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-β-D-xylopyranosyl-(1→2)-β-D-glucopyranoside
Stars
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 (6'-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.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C28H30O15
Net Charge	0
Average Mass	606.533
Monoisotopic Mass	606.15847
SMILES	[H][C@@]1(O[C@H]2[C@H](Oc3cc4c(c(O)c3C)C(=O)c3ccc(O)cc3C4=O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)OC[C@@H](O)[C@H](O)[C@H]1O
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

Species of Metabolite	Component	Source	Comments
Rubia yunnanensis (IPNI:765385-1)	root (BTO:0001188)	PubMed (21973054)	Methanolic extract of air dried powdered roots.

Roles Classification

Biological Role:

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-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-(6'-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-(6'-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-(6'-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-(6'-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 Numbers	Sources
Reaxys:22020822	Reaxys

Citations