Poncirin

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

ID: Reference3475

Other Names: Citrifolioside;
Isosakuranetin 7-O-neohesperidoside;
Isosakuranetin-7-O-β-D-neohesperidoside;
Isosakuranetin-7-neohesperidoside;
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl), (2S)-

Formula: C28H34O14

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Poncirin 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 5997
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7, MS8
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/9/2015 8:36:53 AM
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Identificators

InChI InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
InChI Key NLAWPKPYBMEWIR-SKYQDXIQSA-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)CO)O)O)O)O)O
CAS 14941083
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Other Names Citrifolioside;
Isosakuranetin 7-O-neohesperidoside;
Isosakuranetin-7-O-β-D-neohesperidoside;
Isosakuranetin-7-neohesperidoside;
4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl), (2S)-

In Other Databases

KEGG C09830
Wikipedia Poncirin
ChemSpider 390894
PubChem 442456
ChEBI CHEBI:66773