Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 02:08:02 UTC |
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Update Date | 2022-03-07 02:56:38 UTC |
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HMDB ID | HMDB0040571 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 2-O-Feruloylhydroxycitric acid |
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Description | 2-O-Feruloylhydroxycitric acid belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. 2-O-Feruloylhydroxycitric acid has been detected, but not quantified in, several different foods, such as breakfast cereal, cereals and cereal products, corns (Zea mays), and fats and oils. This could make 2-O-feruloylhydroxycitric acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-O-Feruloylhydroxycitric acid. |
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Structure | COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1 InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+ |
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Synonyms | Value | Source |
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2-O-Feruloylhydroxycitrate | Generator | 2-Hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylate | HMDB |
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Chemical Formula | C16H16O11 |
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Average Molecular Weight | 384.2916 |
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Monoisotopic Molecular Weight | 384.069261354 |
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IUPAC Name | 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid |
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Traditional Name | 2-hydroxy-1-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid |
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CAS Registry Number | 62345-86-2 |
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SMILES | COC1=C(O)C=CC(\C=C\C(=O)OC(C(O)=O)C(O)(CC(O)=O)C(O)=O)=C1 |
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InChI Identifier | InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+ |
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InChI Key | QAEWENIBBUMYIB-HWKANZROSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Tetracarboxylic acids and derivatives |
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Direct Parent | Tetracarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Tetracarboxylic acid or derivatives
- Cinnamic acid or derivatives
- Coumaric acid or derivatives
- Hydroxycinnamic acid or derivatives
- Cinnamic acid ester
- Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Styrene
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Fatty acid ester
- Phenol
- Alpha-hydroxy acid
- Fatty acyl
- Benzenoid
- Hydroxy acid
- Monocyclic benzene moiety
- Monosaccharide
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Tertiary alcohol
- Carboxylic acid ester
- Ether
- Carboxylic acid
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Alcohol
- Organic oxygen compound
- Aromatic homomonocyclic compound
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Molecular Framework | Aromatic homomonocyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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2-O-Feruloylhydroxycitric acid,1TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O)=CC=C1O[Si](C)(C)C | 3298.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O)=CC=C1O | 3248.7 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O)=CC=C1O | 3307.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O)=CC=C1O | 3251.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C)=CC=C1O | 3208.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O)=CC=C1O[Si](C)(C)C | 3183.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #10 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3113.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3275.7 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3184.6 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3178.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O)=CC=C1O | 3188.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #6 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O)=CC=C1O | 3124.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #7 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C)=CC=C1O | 3107.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #8 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O)=CC=C1O | 3175.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TMS,isomer #9 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3170.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3180.6 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #10 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3115.4 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3117.6 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3109.9 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3171.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3173.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #6 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3120.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #7 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O)=CC=C1O | 3110.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #8 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3116.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TMS,isomer #9 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3092.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C | 3148.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3133.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(O)(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3123.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3135.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O | 3099.7 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,5TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3146.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3565.6 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O)=CC=C1O | 3527.7 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3559.9 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3544.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,1TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3534.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3710.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #10 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3672.4 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3741.8 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3723.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3717.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3686.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #6 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3672.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #7 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3662.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #8 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3693.2 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,2TBDMS,isomer #9 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3683.9 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3875.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #10 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3840.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3861.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3850.1 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 3891.8 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3877.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #6 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3874.4 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #7 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O | 3835.4 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #8 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3825.3 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,3TBDMS,isomer #9 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3807.9 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C1O[Si](C)(C)C(C)(C)C | 4031.6 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4008.0 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4016.5 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC(C(=O)O)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4029.4 | Semi standard non polar | 33892256 | 2-O-Feruloylhydroxycitric acid,4TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC(C(=O)O[Si](C)(C)C(C)(C)C)C(CC(=O)O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C1O | 3974.3 | Semi standard non polar | 33892256 |
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