1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside (CHEBI:69521)

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CHEBI:69521 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside

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ChEBI ID	CHEBI:69521
ChEBI Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
Stars
ASCII Name	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-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 (6'-O-acetyl)-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	C29H32O15
Net Charge	0
Average Mass	620.560
Monoisotopic Mass	620.17412
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)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)32)22(35)13-5-4-12(31)6-14(13)21(15)34)42-29-27(25(38)23(36)17(43-29)8-40-11(3)30)44-28-26(39)24(37)20(33)10(2)41-28/h4-7,10,17,20,23-29,31-33,36-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25-,26+,27+,28-,29+/m0/s1
InChIKey	MYMGMMVFIFXMSB-TUABHHCTSA-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.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) 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)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has role antineoplastic agent (CHEBI:35610)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) has role plant metabolite (CHEBI:76924)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) is a acetate ester (CHEBI:47622)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) is a dihydroxyanthraquinone (CHEBI:37484)
	1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(6'-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69521) 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-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

Registry Numbers	Sources
Reaxys:5694983	Reaxys

Citations