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 17:33:42 UTC |
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Update Date | 2022-03-07 02:52:22 UTC |
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HMDB ID | HMDB0029943 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Arbutin |
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Description | Arbutin, also known as ursin or uvasol, 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. Arbutin exists in all living organisms, ranging from bacteria to humans. Arbutin has been detected, but not quantified in, several different foods, such as naranjillas (Solanum quitoense), arctic blackberries (Rubus arcticus), redcurrants (Ribes rubrum), horseradish trees (Moringa oleifera), and canola. This could make arbutin a potential biomarker for the consumption of these foods. Arbutin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Arbutin. |
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Structure | OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
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Synonyms | Value | Source |
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Hydroquinone-O-beta-D-glucopyranoside | ChEBI | p-Hydroxyphenyl beta-D-glucopyranoside | ChEBI | p-Hydroxyphenyl beta-D-glucoside | ChEBI | Ursin | ChEBI | Uvasol | ChEBI | Hydroquinone-O-b-D-glucopyranoside | Generator | Hydroquinone-O-β-D-glucopyranoside | Generator | p-Hydroxyphenyl b-D-glucopyranoside | Generator | p-Hydroxyphenyl β-D-glucopyranoside | Generator | p-Hydroxyphenyl b-D-glucoside | Generator | p-Hydroxyphenyl β-D-glucoside | Generator | 4-Hydroxyphenyl-b-glucopyranoside | HMDB | 4-Hydroxyphenyl-β-glucopyranoside | HMDB | 4-Hydroxyphenyl beta-D-glucopyranoside | HMDB | 4-Hydroxyphenyl β-D-glucopyranoside | HMDB | Arbutine | HMDB | Arbutoside | HMDB | Arbutyne | HMDB | Hydroquinone beta-D-glucopyranoside | HMDB | Hydroquinone glucose | HMDB | Hydroquinone β-D-glucopyranoside | HMDB | beta-Arbutin | HMDB | p-Arbutin | HMDB | Β-arbutin | HMDB | Arbutin | ChEBI |
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Chemical Formula | C12H16O7 |
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Average Molecular Weight | 272.2512 |
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Monoisotopic Molecular Weight | 272.089602866 |
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IUPAC Name | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol |
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Traditional Name | β-arbutin |
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CAS Registry Number | 497-76-7 |
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SMILES | OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
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InChI Identifier | InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 |
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InChI Key | BJRNKVDFDLYUGJ-RMPHRYRLSA-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
- Hexose monosaccharide
- O-glycosyl compound
- 4-alkoxyphenol
- Phenoxy compound
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocyclic benzene moiety
- Monosaccharide
- Benzenoid
- Oxane
- Secondary alcohol
- Acetal
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Alcohol
- Primary alcohol
- Hydrocarbon derivative
- 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 | Not Available |
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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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Arbutin,1TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 2474.9 | Semi standard non polar | 33892256 | Arbutin,1TMS,isomer #2 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 | 2458.4 | Semi standard non polar | 33892256 | Arbutin,1TMS,isomer #3 | C[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O | 2451.1 | Semi standard non polar | 33892256 | Arbutin,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O | 2453.1 | Semi standard non polar | 33892256 | Arbutin,1TMS,isomer #5 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O | 2453.6 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 2462.3 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C | 2407.6 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 2427.3 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2434.3 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2438.8 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #5 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C=C1 | 2452.2 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #6 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1 | 2434.9 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1 | 2441.8 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #8 | C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@@H]1CO | 2407.7 | Semi standard non polar | 33892256 | Arbutin,2TMS,isomer #9 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O | 2421.3 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O | 2448.1 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #10 | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C | 2404.2 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2452.6 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2452.2 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2420.0 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #5 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2446.3 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #6 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2411.5 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #7 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)C=C1 | 2441.8 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #8 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C=C1 | 2448.0 | Semi standard non polar | 33892256 | Arbutin,3TMS,isomer #9 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1 | 2453.1 | Semi standard non polar | 33892256 | Arbutin,4TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O | 2488.0 | Semi standard non polar | 33892256 | Arbutin,4TMS,isomer #2 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C | 2493.3 | Semi standard non polar | 33892256 | Arbutin,4TMS,isomer #3 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2477.1 | Semi standard non polar | 33892256 | Arbutin,4TMS,isomer #4 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2465.9 | Semi standard non polar | 33892256 | Arbutin,4TMS,isomer #5 | C[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1 | 2482.7 | Semi standard non polar | 33892256 | Arbutin,5TMS,isomer #1 | C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C)C=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C | 2531.6 | Semi standard non polar | 33892256 | Arbutin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 2712.6 | Semi standard non polar | 33892256 | Arbutin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 | 2711.1 | Semi standard non polar | 33892256 | Arbutin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@@H](O)[C@@H]1O | 2711.3 | Semi standard non polar | 33892256 | Arbutin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O | 2703.5 | Semi standard non polar | 33892256 | Arbutin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O | 2712.9 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O | 2964.8 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2925.6 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 2910.6 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 2908.5 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2915.6 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C=C1 | 2965.0 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1 | 2967.8 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1 | 2962.4 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@@H]1CO | 2923.9 | Semi standard non polar | 33892256 | Arbutin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O | 2936.1 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O | 3194.9 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC=C(O)C=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C | 3148.3 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3203.1 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3199.2 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3133.3 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3164.0 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3136.2 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[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]2O)C=C1 | 3207.1 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1 | 3212.9 | Semi standard non polar | 33892256 | Arbutin,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1 | 3214.0 | Semi standard non polar | 33892256 | Arbutin,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O | 3378.3 | Semi standard non polar | 33892256 | Arbutin,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 3404.2 | Semi standard non polar | 33892256 | Arbutin,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C | 3378.4 | Semi standard non polar | 33892256 | Arbutin,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[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 | 3362.2 | Semi standard non polar | 33892256 | Arbutin,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C(O[C@@H]2O[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]2O[Si](C)(C)C(C)(C)C)C=C1 | 3374.2 | Semi standard non polar | 33892256 | Arbutin,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)[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 | 3577.6 | Semi standard non polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental GC-MS | GC-MS Spectrum - Arbutin GC-MS (5 TMS) | splash10-0uxr-1971000000-e8260464bad4d4a7fa0c | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Arbutin GC-EI-TOF (Non-derivatized) | splash10-0uxs-0940000000-9984522469f86670798f | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Arbutin GC-MS (Non-derivatized) - 70eV, Positive | splash10-0r00-9750000000-b52a5d3b5fb7e98f0009 | 2017-07-27 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Arbutin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Arbutin 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 - Arbutin DI-ESI-qTof , Positive-QTOF | splash10-0002-0090000000-a7028a3a9618849334b7 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , negative-QTOF | splash10-0229-0920000000-532b692f9942a62cc7c8 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , negative-QTOF | splash10-0229-0910000000-1cb0580496288b7004fc | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOF | splash10-001i-0950000000-4bafd0325d0163331c0a | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOF | splash10-001i-0950000000-ffffdfe1cd448f0ea135 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOF | splash10-016r-0290000000-0ebc801fded534434aa5 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin Linear Ion Trap , positive-QTOF | splash10-016r-0390000000-5831b5a141106482d24d | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 75V, Negative-QTOF | splash10-0a4i-0900000000-e517344bdabb66a133e9 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 60V, Negative-QTOF | splash10-0a4i-0900000000-315daa57d6f694ca71fb | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 30V, Negative-QTOF | splash10-0a4i-1900000000-df811a65eba1be7fd68d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 45V, Negative-QTOF | splash10-0a4i-0900000000-4efe3ed1e7614387deb4 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 90V, Positive-QTOF | splash10-014i-9000000000-6f8b05f1e0b20e00a25f | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 75V, Positive-QTOF | splash10-014i-9100000000-7092290163d035871936 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 35V, Negative-QTOF | splash10-0a4i-0900000000-a0b2ea306ed135900292 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 15V, Negative-QTOF | splash10-0a4i-1900000000-26385cb99dd5b38d4f3c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Arbutin 90V, Negative-QTOF | splash10-0a4i-0900000000-0a4c12f1e9730c4685ea | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 10V, Positive-QTOF | splash10-03k9-0970000000-e87519bd2c30ca193e5e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 20V, Positive-QTOF | splash10-03di-1900000000-f812a22889a4e7871758 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 40V, Positive-QTOF | splash10-03e9-9600000000-9a8f2b8fb568a07413b4 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 10V, Negative-QTOF | splash10-05fr-1890000000-cb67c77a9f0c57c986bd | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 20V, Negative-QTOF | splash10-0a4i-1910000000-52b74ad8f6f3181df26d | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 40V, Negative-QTOF | splash10-0a4i-5900000000-45bf1851196d0254c239 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 10V, Negative-QTOF | splash10-0ab9-0950000000-597b2277ebb9d13fbb41 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 20V, Negative-QTOF | splash10-0ab9-4940000000-6a46c2768079c1935cb9 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Arbutin 40V, Negative-QTOF | splash10-0a4i-7900000000-56f28af9a02294ffb2fa | 2021-09-22 | 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) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
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