Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-04-03 14:10:31 UTC |
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Update Date | 2022-03-07 02:51:34 UTC |
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HMDB ID | HMDB0013682 |
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Secondary Accession Numbers | - HMDB0036585
- HMDB13682
- HMDB36585
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Metabolite Identification |
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Common Name | Coniferin |
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Description | Coniferin (CAS: 531-29-3), also known as abietin or coniferoside, belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-fructose, and L-rhamnose. Coniferin is an extremely weak basic (essentially neutral) compound (based on its pKa). Coniferin is a monosaccharide derivative consisting of coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Coniferin is found in asparagus and has been isolated from Scorzonera hispanica (black salsify). |
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Structure | COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(\C=C\CO)=C1 InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1 |
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Synonyms | Value | Source |
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4-O-(beta-D-Glucosyl)-trans-coniferol | ChEBI | Coniferyl alcohol beta-D-glucoside | ChEBI | 4-O-(b-D-Glucosyl)-trans-coniferol | Generator | 4-O-(Β-D-glucosyl)-trans-coniferol | Generator | Coniferyl alcohol b-D-glucoside | Generator | Coniferyl alcohol β-D-glucoside | Generator | 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside | HMDB | 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-delta-glucopyranoside | HMDB | Abietin | HMDB | Coniferoside | HMDB | Coniferyl alcohol beta-delta-glucoside | HMDB | Coniferyl alcohol-4-O-beta-D-glucopyranoside | HMDB | (e)-Coniferin | HMDB | 3-(4beta-D-Glucopyranosyloxy-3-methoxy)phenyl-(2E)-propenol | HMDB | 3-(4beta-D-Glucopyranosyloxy-3-methoxy)phenyl-2E-propenol | HMDB | 3-(4Β-D-glucopyranosyloxy-3-methoxy)phenyl-(2E)-propenol | HMDB | 3-(4Β-D-glucopyranosyloxy-3-methoxy)phenyl-2E-propenol | HMDB | 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenyl beta-glucopyranoside | HMDB | 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenyl β-glucopyranoside | HMDB | 4-Hydroxy-3-methoxy-1-(gamma-hydroxypropenyl)benzene-4-D-glucoside | HMDB | 4-Hydroxy-3-methoxy-1-(γ-hydroxypropenyl)benzene-4-D-glucoside | HMDB | 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl beta-D-glucopyranoside | HMDB | 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl β-D-glucopyranoside | HMDB | Coniferyl alcohol 4-O-glucoside | HMDB | Coniferyl alcohol beta-glucoside | HMDB | Coniferyl alcohol β-glucoside | HMDB | Laricin | HMDB | trans-Coniferin | HMDB | 4-(3-Hydroxy-1-propenyl)-2-methoxyphenyl-beta-D-glucopyranoside | HMDB | 4-(3-Hydroxy-1-propenyl)-2-methoxyphenyl-β-D-glucopyranoside | HMDB | Coniferosid | HMDB | Coniferin | HMDB |
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Chemical Formula | C16H22O8 |
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Average Molecular Weight | 342.3411 |
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Monoisotopic Molecular Weight | 342.13146768 |
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IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triol |
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Traditional Name | coniferin |
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CAS Registry Number | 124151-33-3 |
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SMILES | COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(\C=C\CO)=C1 |
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InChI Identifier | InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1 |
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InChI Key | SFLMUHDGSQZDOW-FAOXUISGSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | Phenolic glycosides |
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Alternative Parents | |
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Substituents | - Phenolic glycoside
- O-glycosyl compound
- Cinnamyl alcohol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Styrene
- Phenol ether
- Alkyl aryl ether
- Monocyclic benzene moiety
- Monosaccharide
- Benzenoid
- Oxane
- Secondary alcohol
- Ether
- Organoheterocyclic compound
- Acetal
- Oxacycle
- Polyol
- Hydrocarbon derivative
- Alcohol
- Primary alcohol
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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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 | | 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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Coniferin,1TMS,isomer #1 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O | 2974.7 | Semi standard non polar | 33892256 | Coniferin,1TMS,isomer #2 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 2943.1 | Semi standard non polar | 33892256 | Coniferin,1TMS,isomer #3 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 2937.9 | Semi standard non polar | 33892256 | Coniferin,1TMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 2952.1 | Semi standard non polar | 33892256 | Coniferin,1TMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 3005.1 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O | 2926.8 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #10 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 2960.7 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #2 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 2945.9 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #3 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 2942.7 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 2928.4 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 2948.2 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #6 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 2914.8 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #7 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 2917.4 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #8 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 2949.6 | Semi standard non polar | 33892256 | Coniferin,2TMS,isomer #9 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2914.2 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 2906.5 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #10 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2912.7 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #2 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 2921.2 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #3 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 2906.3 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 2918.1 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #5 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 2936.0 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #6 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2909.8 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #7 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 2912.0 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #8 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 2921.6 | Semi standard non polar | 33892256 | Coniferin,3TMS,isomer #9 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2894.8 | Semi standard non polar | 33892256 | Coniferin,4TMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 2917.2 | Semi standard non polar | 33892256 | Coniferin,4TMS,isomer #2 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 2937.1 | Semi standard non polar | 33892256 | Coniferin,4TMS,isomer #3 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2909.1 | Semi standard non polar | 33892256 | Coniferin,4TMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2933.8 | Semi standard non polar | 33892256 | Coniferin,4TMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2920.3 | Semi standard non polar | 33892256 | Coniferin,5TMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 2962.5 | Semi standard non polar | 33892256 | Coniferin,1TBDMS,isomer #1 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O | 3229.2 | Semi standard non polar | 33892256 | Coniferin,1TBDMS,isomer #2 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3211.7 | Semi standard non polar | 33892256 | Coniferin,1TBDMS,isomer #3 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3201.2 | Semi standard non polar | 33892256 | Coniferin,1TBDMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3215.7 | Semi standard non polar | 33892256 | Coniferin,1TBDMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 3239.0 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O | 3453.2 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #10 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3480.7 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #2 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3459.6 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #3 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3458.0 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3450.4 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3464.2 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #6 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3443.8 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #7 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3444.1 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #8 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3463.4 | Semi standard non polar | 33892256 | Coniferin,2TBDMS,isomer #9 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3442.7 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 3661.9 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #10 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3670.1 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #2 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3665.6 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #3 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3669.2 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3651.4 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #5 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3673.5 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #6 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3637.5 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #7 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3664.6 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #8 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3677.6 | Semi standard non polar | 33892256 | Coniferin,3TBDMS,isomer #9 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3631.0 | Semi standard non polar | 33892256 | Coniferin,4TBDMS,isomer #1 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 3829.9 | Semi standard non polar | 33892256 | Coniferin,4TBDMS,isomer #2 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 3858.9 | Semi standard non polar | 33892256 | Coniferin,4TBDMS,isomer #3 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3826.1 | Semi standard non polar | 33892256 | Coniferin,4TBDMS,isomer #4 | COC1=CC(/C=C/CO)=CC=C1O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3839.9 | Semi standard non polar | 33892256 | Coniferin,4TBDMS,isomer #5 | COC1=CC(/C=C/CO[Si](C)(C)C(C)(C)C)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 3821.7 | 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 - Coniferin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0759-9556000000-d50730990c533e558e82 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Coniferin GC-MS (4 TMS) - 70eV, Positive | splash10-014i-2131039000-cd8f01087972e82351ed | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Coniferin 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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Experimental LC-MS/MS | LC-MS/MS Spectrum - Coniferin NA , positive-QTOF | splash10-014i-0009000000-65a612073ce47017ce11 | 2020-07-21 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 10V, Positive-QTOF | splash10-03gl-0907000000-0d21f83e25774ba0717e | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 20V, Positive-QTOF | splash10-03e9-0901000000-2a7d23914a39f0770405 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 40V, Positive-QTOF | splash10-03ei-2900000000-05b53e9f75d7579a04b5 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 10V, Negative-QTOF | splash10-002f-0709000000-f36f1c9d16f3e389f3e6 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 20V, Negative-QTOF | splash10-03fr-0902000000-32a6d5855356df41635a | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 40V, Negative-QTOF | splash10-03fs-2900000000-69153800d95873c33228 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 10V, Negative-QTOF | splash10-03dj-0943000000-a485932aa39f39c0ae69 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 20V, Negative-QTOF | splash10-08i0-4932000000-c748bb7e8d1848b4f2c0 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 40V, Negative-QTOF | splash10-000j-2902000000-7422d619262b29c3e0f1 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 10V, Positive-QTOF | splash10-002e-0429000000-a9e8c4c6fd1a9702c50a | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 20V, Positive-QTOF | splash10-00kb-0911000000-3d8ce1e2b4fc8441ffd5 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Coniferin 40V, Positive-QTOF | splash10-03el-2910000000-554d1e09d40aac758ead | 2021-09-25 | 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 | FDB015497 |
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KNApSAcK ID | C00056707 |
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Chemspider ID | 4444067 |
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KEGG Compound ID | C00761 |
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BioCyc ID | CPD-1777 |
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BiGG ID | Not Available |
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Wikipedia Link | Coniferin |
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METLIN ID | Not Available |
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PubChem Compound | 5280372 |
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PDB ID | Not Available |
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ChEBI ID | 16220 |
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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 | rw1064371 |
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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 | Not Available |
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