Rutin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside

ID: Reference28

Other Names: Rutinoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl;
Rutoside;
Birutan;
Eldrin;
Phytomelin ; more

Formula: C27H30O16

Class: Endogenous Metabolites

Spectral Data

Rutin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Orbitrap
No. of Spectral Trees 6
No. of Spectra 7514
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 10/10/2016 11:00:52 AM
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Identificators

InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)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
InChI Key IKGXIBQEEMLURG-UHFFFAOYSA-N
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
CAS 153184
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Other Names Rutinoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl;
Rutoside;
Birutan;
Eldrin;
Phytomelin;
Venoruton;
Quercetin 3-rutinoside;
Myrticolorin;
Paliuroside;
Ilixanthin;
Osyritrin;
Oxyritin;
Rutozyd;
Tanrutin;
Globulariacitrin;
Rutinion acid;
3-Rutinosyl quercetin;
Birutan forte;
Birutin;
Rutine;
3-Rhamnoglucosylquercetin;
Quercetin 3-O-rutinoside;
Quercetol 3-rhamnoglucoside;
Violaquercitrin;
Rutabion;
Melin;
Rutinic acid;
Quercetin-3β-rutinoside;
Globularicitrin;
Quercitin 3-rutinoside;
Quercetin 3-rhamnoglucoside;
Rutinoside, quercetin-3, β-

In Other Databases

PubChem 5280805
WebBook 3314238530
ChemSpider 4444362
Wikipedia Rutin