Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 22:07:36 UTC |
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Update Date | 2022-03-07 02:55:07 UTC |
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HMDB ID | HMDB0036938 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 1-O-Feruloylglucose |
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Description | 1-O-Feruloylglucose belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. 1-O-Feruloylglucose is found, on average, in the highest concentration within a few different foods, such as jostaberries (Ribes × nidigrolaria), blackcurrants (Ribes nigrum), and rubus (blackberry, raspberry) and in a lower concentration in italian sweet red peppers (Capsicum annuum), apples (Malus pumila), and gooseberries (Ribes uva-crispa). 1-O-Feruloylglucose has also been detected, but not quantified in, highbush blueberries (Vaccinium corymbosum) and redcurrants (Ribes rubrum). This could make 1-O-feruloylglucose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1-O-Feruloylglucose. |
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Structure | COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ |
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Synonyms | Value | Source |
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3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid | HMDB |
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Chemical Formula | C16H20O9 |
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Average Molecular Weight | 356.3246 |
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Monoisotopic Molecular Weight | 356.110732238 |
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IUPAC Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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Traditional Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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CAS Registry Number | 7196-71-6 |
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SMILES | COC1=C(O)C=CC(\C=C\C(=O)OC2OC(CO)C(O)C(O)C2O)=C1 |
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InChI Identifier | InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3/b5-3+ |
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InChI Key | JWRQVQWBNRGGPK-HWKANZROSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as hydroxycinnamic acid glycosides. These are glycosylated hydoxycinnamic acids derivatives. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Cinnamic acids and derivatives |
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Sub Class | Hydroxycinnamic acids and derivatives |
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Direct Parent | Hydroxycinnamic acid glycosides |
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Alternative Parents | |
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Substituents | - Hydroxycinnamic acid glycoside
- O-cinnamoyl glycoside
- Coumaric acid or derivatives
- Hexose monosaccharide
- Cinnamic acid ester
- Methoxyphenol
- Anisole
- Phenoxy compound
- Phenol ether
- Styrene
- Methoxybenzene
- Phenol
- Alkyl aryl ether
- Fatty acid ester
- 1-hydroxy-2-unsubstituted benzenoid
- Fatty acyl
- Benzenoid
- Monocyclic benzene moiety
- Oxane
- Monosaccharide
- Enoate ester
- Alpha,beta-unsaturated carboxylic ester
- Secondary alcohol
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Acetal
- Carboxylic acid derivative
- Polyol
- Ether
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Alcohol
- Primary alcohol
- Organooxygen compound
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic 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 | Property | Value | Reference |
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Melting Point | 123 - 126 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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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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1-O-Feruloylglucose,1TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C | 3268.5 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O | 3239.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O | 3203.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O | 3200.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O | 3220.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C | 3205.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #10 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3172.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C | 3187.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3198.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3199.5 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O | 3183.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #6 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O | 3189.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #7 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O | 3190.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #8 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O | 3151.8 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TMS,isomer #9 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O | 3165.0 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C | 3140.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #10 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3128.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3151.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3141.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3140.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3149.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #6 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3152.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #7 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O | 3141.3 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #8 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O | 3165.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TMS,isomer #9 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3141.0 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3143.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3152.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3121.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3108.3 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3132.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,5TMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3154.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3547.5 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O | 3516.3 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O | 3501.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3486.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,1TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3519.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3691.3 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #10 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3702.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3722.8 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3719.6 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3731.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O | 3695.5 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #6 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3687.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #7 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3696.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #8 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3688.8 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,2TBDMS,isomer #9 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3700.9 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3875.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #10 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3851.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3879.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3868.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3885.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3891.2 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #6 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3892.3 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #7 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3863.5 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #8 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3880.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,3TBDMS,isomer #9 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3848.4 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TBDMS,isomer #1 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 4074.8 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TBDMS,isomer #2 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4099.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TBDMS,isomer #3 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4062.7 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TBDMS,isomer #4 | COC1=CC(/C=C/C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 4055.1 | Semi standard non polar | 33892256 | 1-O-Feruloylglucose,4TBDMS,isomer #5 | COC1=CC(/C=C/C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 4054.4 | Semi standard non polar | 33892256 |
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Spectra |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 1-O-Feruloylglucose GC-MS (Non-derivatized) - 70eV, Positive | splash10-0kii-9623000000-0dda4a08ab12a7b5fbc9 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-O-Feruloylglucose GC-MS (4 TMS) - 70eV, Positive | splash10-0059-2273039000-18c5c89770550df843dd | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-O-Feruloylglucose GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 1-O-Feruloylglucose GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 10V, Positive-QTOF | splash10-004j-0902000000-24227394506e8ab64f52 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 20V, Positive-QTOF | splash10-004j-0900000000-eb4cf06e241af96f6c24 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 40V, Positive-QTOF | splash10-002b-3900000000-da7b3d7b488f8e9051eb | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 10V, Negative-QTOF | splash10-004i-0902000000-37a716587e1315008931 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 20V, Negative-QTOF | splash10-01tc-1900000000-39bdfa7a1ba96134e42e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 40V, Negative-QTOF | splash10-002f-6900000000-322729ebffe36b54c807 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 10V, Negative-QTOF | splash10-0a6r-0906000000-4f36c3d8b3ada7e9e659 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 20V, Negative-QTOF | splash10-0kcs-1913000000-bf251348657a4fd3779f | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 40V, Negative-QTOF | splash10-001i-1901000000-405abedc8dbb2395567e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 10V, Positive-QTOF | splash10-0a6r-0709000000-ce3525d91657e72b8edc | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 20V, Positive-QTOF | splash10-0002-0900000000-98ca975741f21b42f0fd | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 1-O-Feruloylglucose 40V, Positive-QTOF | splash10-0a4i-2930000000-4f55cd0374f41611f3e0 | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB000238 |
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KNApSAcK ID | Not Available |
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Chemspider ID | Not Available |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 13962927 |
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PDB ID | Not Available |
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ChEBI ID | 168886 |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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