CHEBI:69539 - 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside
ChEBI ID CHEBI:69539
ChEBI ASCII Name 1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3'-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 (3ʼ-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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000096086205
Download Molfile XML SDF
Formula C29H32O15
Net Charge 0
Average Mass 620.55540
Monoisotopic Mass 620.17412
InChI InChI=1S/C29H32O15/c1-9-16(7-15-18(19(9)33)22(36)13-5-4-12(32)6-14(13)21(15)35)42-29-27(26(41-11(3)31)23(37)17(8-30)43-29)44-28-25(39)24(38)20(34)10(2)40-28/h4-7,10,17,20,23-30,32-34,37-39H,8H2,1-3H3/t10-,17+,20-,23+,24+,25+,26-,27+,28-,29+/m0/s1
InChIKey VUDKIFFLIMSULN-AKMBVNFTSA-N
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4C(=O)c5cc(O)ccc5C(=O)c4c(O)c3C)O[C@H](CO)[C@@H](O)[C@@H]2OC(C)=O)[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-(3'-O-acetyl)-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-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) 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-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) has role plant metabolite (CHEBI:76924)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) is a acetate ester (CHEBI:47622)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) is a dihydroxyanthraquinone (CHEBI:37484)
1,3,6-trihydroxy-2-methyl-9,10-anthraquinone-3-O-(3ʼ-O-acetyl)-α-L-rhamnopyranosyl-(1→2)-β-D-glucopyranoside (CHEBI:69539) is a disaccharide derivative (CHEBI:63353)
IUPAC Name
4,7-dihydroxy-3-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl 3-O-acetyl-2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
Registry Number Type Source
22020821 Reaxys Registry Number Reaxys
Citation Waiting for Citations
Last Modified
09 January 2014