Neohesperidin

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Systematic / IUPAC Name: (2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

ID: Reference3453

Other Names: Hesperetin 7-O-neohesperidoside;
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside;
4H-1-Benzopyran-4-one,7-{[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy}-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl),(2S)-

Formula: C28H34O15

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Neohesperidin 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4516
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/2/2015 7:12:54 AM
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Identificators

InChI InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key ARGKVCXINMKCAZ-UZRWAPQLSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
CAS 13241333
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Other Names Hesperetin 7-O-neohesperidoside;
(2S)-5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside;
4H-1-Benzopyran-4-one,7-{[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranosyl]oxy}-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl),(2S)-

In Other Databases

ChemSpider 390879
Wikipedia Neohesperidin
KEGG C09806
PubChem 442439
ChEBI CHEBI:59016