1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:69537)

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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 ID	CHEBI:69537
ChEBI Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
Stars
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.
Last Modified	9 January 2014
Downloads	Molfile

Formula	C27H30O14
Net Charge	0
Average Mass	578.523
Monoisotopic Mass	578.16356
SMILES	[H][C@@]1(O[C@H]2[C@H](Oc3cc4c(c(O)c3C)C(=O)c3ccc(O)cc3C4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
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

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-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 Numbers	Sources
Reaxys:5687770	Reaxys

Citations