Apigenin 7-O-glucuronide

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Systematic / IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid

ID: Reference8094

Other Names: Apigenin 7-O-β-D-glucuronide;
Apigenin 7-O-b-glucuronide;
Apigenin 7-glucuronide;
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid

Formula: C21H18O11

Spectral Data

Apigenin 7-O-glucuronide 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 409
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/18/2018 7:44:24 AM
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Identificators

InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChI Key JBFOLLJCGUCDQP-ZFORQUDYSA-N
Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
CAS 29741091
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Other Names Apigenin 7-O-β-D-glucuronide;
Apigenin 7-O-b-glucuronide;
Apigenin 7-glucuronide;
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl β-D-glucopyranosiduronic acid

In Other Databases

PubChem 5319484
ChEMBL CHEMBL254213
ChemIDPlus 029741091
ChemSpider 4477775; 4533875