mzCloud – Chicoric acid

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Systematic / IUPAC Name: (2R,3R)-2,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}succinic acid

ID: Reference7791

Other Names: (-)-Chicoric acid;
(-)-L-Chicoric acid;
2,3-Dicaffeoyl-L-tartaric acid;
Chicoric acid, (-)-;
Cichoric acid ; more

Formula: C₂₂H₁₈O₁₂

Chicoric acid 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	162
Tandem Spectra	MS¹, MS²
Ionization Methods	NSI
Analyzers	FT
Last Modification	4/17/2018 7:21:11 AM

InChI	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChI Key	YDDGKXBLOXEEMN-IABMMNSOSA-N
Canonical SMILES	C1=CC(=C(C=C1C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O
CAS	6537800
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Other Names	(-)-Chicoric acid; (-)-L-Chicoric acid; 2,3-Dicaffeoyl-L-tartaric acid; Chicoric acid, (-)-; Cichoric acid; Dicaffeoyl-L-tartaric acid; L-CA; L-Chicoric acid; L-Cichoric acid; L-DCTA; (2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-succinic acid; (2R,3R)-2,3-Bis{[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy}succinic acid ; (2R,3R)-2,3-Bis{[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid ; (2R,3R)-2,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}succinic acid; 2,3-Bis{[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy}butanedioic acid ; Butanedioic acid, 2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy}-, (2R,3R)-