Hesperidin
1232
Reference
Hesperidin Structure
Systematic / IUPAC Name: (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside
ID: Reference1232
Other Names:
(S)-(-)-Hesperidin;
Cirantin;
Ciratin;
Glucopyranoside, hesperetin-7 6-O-(6-deoxy-α-L-mannopyranosyl), β-D-;
Hesperetin 7-O-rutinoside
; more
Formula: C28H34O15
Class: Endogenous Metabolites
Spectral Data
Hesperidin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 9400 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 8/8/2018 6:28:19 AM |
Identificators
| InChI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| Canonical SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
| CAS | 520263 |
| Splash | |
| Other Names |
(S)-(-)-Hesperidin; Cirantin; Ciratin; Glucopyranoside, hesperetin-7 6-O-(6-deoxy-α-L-mannopyranosyl), β-D-; Hesperetin 7-O-rutinoside; Hesperetin, 7-(6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside); Hesperetin-7-rutinoside; Hesperidine; Hesperidoside; Hesperitin-7-rhamnoglucoside; (S)-7-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ; 4H-1-Benzopyran-4-one, 7-{[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl), (S)- ; 7-{[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy}-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)- ; 7-[(6-O-Desoxy-α-L-mannopyranosyl)-β-D-glucopyranosyloxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon |
In Other Databases
| ChemIDPlus | 000520263 |
| ChEBI | CHEBI:28775 |
| PubChem | 10621 |
| ChemSpider | 10176 |
| KEGG | C09755; D01038 |
| Wikipedia | Hesperidin |
| ChEMBL | CHEMBL449317 |