mzCloud – Baicalin

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Systematic / IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

ID: Reference8202

Other Names: Baicailin;
Baicalein 7-O-β-D-glucuronide;
Baicalein 7-O-glucuronide;
Baicalein-7-D-glucuronide;
Baicalin 7-B-D-glucuronide ; more

Formula: C₂₁H₁₈O₁₁

Baicalin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Used Instruments	Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees	1
No. of Spectra	155
Tandem Spectra	MS¹, MS²
Ionization Methods	NSI
Analyzers	FT
Last Modification	9/11/2018 12:25:16 PM

InChI	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChI Key	IKIIZLYTISPENI-ZFORQUDYSA-N
Canonical SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O
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Other Names	Baicailin; Baicalein 7-O-β-D-glucuronide; Baicalein 7-O-glucuronide; Baicalein-7-D-glucuronide; Baicalin 7-B-D-glucuronide; Baicalin hydrate; Baikalin; (2S,3S,4S,5R,6S)-6-((5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid; (2S,3S,4S,5R,6S)-6-(5,6-Dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid; 5,6,7-Trihydroxyflavone 7-O-β-D-glucuronide; 5,6,7-Trihydroxyflavone-7-O-β-D-glucopyranosideuronic acid; 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid; 5,6-Dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl β-D-glucopyranosiduronic acid; 7-D-Glucuronic acid-5,6-dihydroxyflavone; β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl