Afzelin

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-α-L-mannopyranoside

ID: Reference7395

Other Names: AFE;
Kaempferin;
Kaempferol 3-O-α-L-rhamnopyranoside;
Kaempferol 3-O-α-L-rhamnoside;
Kaempferol 3-O-glucorhamnoside ; more

Formula: C21H20O10

Spectral Data

Afzelin 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 Fusion Lumos with ETD LBP
No. of Spectral Trees 3
No. of Spectra 4525
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/13/2018 11:24:29 AM
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Identificators

InChI InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
InChI Key SOSLMHZOJATCCP-AEIZVZFYSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)O)O
CAS 482393
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Other Names AFE;
Kaempferin;
Kaempferol 3-O-α-L-rhamnopyranoside;
Kaempferol 3-O-α-L-rhamnoside;
Kaempferol 3-O-glucorhamnoside;
Kaempferol 3-rhamnoside;
4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4H-chromen-4-one ;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-YL]oxy}chromen-4-one

In Other Databases

ChEMBL CHEMBL240528
Wikipedia Afzelin
KEGG C16911
ChemIDPlus 000482393
ChemSpider 4475671
PubChem 5316673
ChEBI CHEBI:80790