Quercetin 3-O-rhamnoside-7-O-glucoside

enlarge

Systematic / IUPAC Name: 3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside

ID: Reference8069

Other Names: Quercetin 3-O-α-L-rhamnoside-7-O-β-D-glucoside;
Quercetin 3-O-α-rhamnoside-7-O-β-glucoside;
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside

Formula: C27H30O16

Spectral Data

Quercetin 3-O-rhamnoside-7-O-glucoside mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/13/2018 1:14:33 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)43-25-19(34)16-13(31)5-10(40-27-23(38)21(36)18(33)15(7-28)42-27)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26-,27+/m0/s1
InChI Key MCTZMXCUYPDYNE-AHHFARBASA-N
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC(=C(C=C5)O)O)O)O)O
CAS
Splash
Other Names Quercetin 3-O-α-L-rhamnoside-7-O-β-D-glucoside;
Quercetin 3-O-α-rhamnoside-7-O-β-glucoside;
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;
3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranoside

In Other Databases

ChemSpider 29814731
KEGG C19796
ChEBI CHEBI:133244
PubChem 6325870