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(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid

Compound with spectra: 1 MS (GC)

(1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid
SpectraBase Compound ID aD5BwSiXkC
InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(32)36-23-19(30)11-25(24(34)35,12-20(23)31)37-22(33)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-31H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20+,23-,25-
InChIKey IYXQRCXQQWUFQV-QGKJAKRJSA-N
Mol Weight 516.46 g/mol
Molecular Formula C25H24O12
Exact Mass 516.126776 g/mol

View Spectrum of (1-alpha,3-beta,4-beta,5-beta)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-en-1-yl]oxy}-3,5-dihydroxycyclohexanecarboxylic Acid

MS (GC) Spectrum
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Source of Spectrum H-95-1621-3
5-Caffeoylquinic acid
Chlorogenic acid [3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid]
3-BETA-O-TRANS-CAFFEOYL-1,4,5-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
3-CAFFEOYL-MUCO-QUINIC-ACID;1S-3-BETA-O-TRANS-CAFFEOYL-1-ALPHA,4-ALPHA,5-BETA-TRIHYDROXYCYCLOHEXANE-1-CARBOXYLIC-ACID
Chlorogenic acid, anion
ETHYL-(1R,3R,4S,5R)-3,5-BIS-([(E)-3-(3,4-DIHYDROXYPHENYL)-PROP-2-ENOYL]-OXY)-1,4-DIHYDROXYCYCLOHEXANECARBOXYLATE
METHYL-3,5-O-DI-CAFFEOYL-QUINATE
3,5-DICAFFEOYL-QUINIC-ACID-METHYLESTER
2,4/3,5-DICAFFEOYL-GLUCARIC-ACID
BREVIPOLIDE_D
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