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 17:51:39 UTC |
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Update Date | 2022-03-07 02:53:27 UTC |
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HMDB ID | HMDB0032767 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Sphalleroside A |
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Description | Sphalleroside A 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. Sphalleroside A has been detected, but not quantified in, herbs and spices. This could make sphalleroside a a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Sphalleroside A. |
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Structure | COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3 |
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Synonyms | Not Available |
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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 | 2-[3-hydroxy-2-methoxy-5-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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Traditional Name | 2-[3-hydroxy-2-methoxy-5-(prop-2-en-1-yl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
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CAS Registry Number | 192324-34-8 |
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SMILES | COC1=C(O)C=C(CC=C)C=C1OC1OC(CO)C(O)C(O)C1O |
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InChI Identifier | InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3 |
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InChI Key | PCHIAQZAMZOONE-UHFFFAOYSA-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
- Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Alkyl aryl ether
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Oxane
- Monosaccharide
- Monocyclic benzene moiety
- Benzenoid
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Ether
- Polyol
- Alcohol
- Hydrocarbon derivative
- Primary alcohol
- 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 | 185 - 186 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 11850 mg/L @ 25 °C (est) | The Good Scents Company Information System | 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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Sphalleroside A,1TMS,isomer #1 | C=CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2814.2 | Semi standard non polar | 33892256 | Sphalleroside A,1TMS,isomer #2 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C1 | 2794.6 | Semi standard non polar | 33892256 | Sphalleroside A,1TMS,isomer #3 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1 | 2791.9 | Semi standard non polar | 33892256 | Sphalleroside A,1TMS,isomer #4 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1 | 2776.6 | Semi standard non polar | 33892256 | Sphalleroside A,1TMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1 | 2795.0 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2752.1 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #10 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1 | 2744.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #2 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2743.3 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #3 | C=CCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2726.2 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #4 | C=CCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2749.9 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C1 | 2747.2 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #6 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C1 | 2722.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #7 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C1 | 2753.3 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #8 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1 | 2727.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TMS,isomer #9 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1 | 2734.8 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2707.2 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #10 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1 | 2703.5 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #2 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2679.6 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #3 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2712.3 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #4 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2690.9 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #5 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2699.6 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #6 | C=CCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2694.8 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #7 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1 | 2700.0 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #8 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1 | 2729.0 | Semi standard non polar | 33892256 | Sphalleroside A,3TMS,isomer #9 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1 | 2709.6 | Semi standard non polar | 33892256 | Sphalleroside A,4TMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C)=C1 | 2723.2 | Semi standard non polar | 33892256 | Sphalleroside A,4TMS,isomer #2 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2743.3 | Semi standard non polar | 33892256 | Sphalleroside A,4TMS,isomer #3 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2723.0 | Semi standard non polar | 33892256 | Sphalleroside A,4TMS,isomer #4 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2707.5 | Semi standard non polar | 33892256 | Sphalleroside A,4TMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1 | 2753.7 | Semi standard non polar | 33892256 | Sphalleroside A,5TMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C(OC)C(O[Si](C)(C)C)=C1 | 2794.2 | Semi standard non polar | 33892256 | Sphalleroside A,1TBDMS,isomer #1 | C=CCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3081.4 | Semi standard non polar | 33892256 | Sphalleroside A,1TBDMS,isomer #2 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C1 | 3028.8 | Semi standard non polar | 33892256 | Sphalleroside A,1TBDMS,isomer #3 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1 | 3040.7 | Semi standard non polar | 33892256 | Sphalleroside A,1TBDMS,isomer #4 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1 | 3026.4 | Semi standard non polar | 33892256 | Sphalleroside A,1TBDMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1 | 3044.2 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3239.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #10 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1 | 3225.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #2 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3252.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #3 | C=CCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3238.3 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #4 | C=CCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3254.3 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1 | 3220.5 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #6 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1 | 3197.3 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #7 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1 | 3216.4 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #8 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1 | 3214.8 | Semi standard non polar | 33892256 | Sphalleroside A,2TBDMS,isomer #9 | C=CCC1=CC(O)=C(OC)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1 | 3221.7 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #1 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3404.1 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #10 | C=CCC1=CC(O)=C(OC)C(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)=C1 | 3392.8 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #2 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3383.3 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #3 | C=CCC1=CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3404.1 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #4 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3401.2 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #5 | C=CCC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3415.7 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #6 | C=CCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3413.4 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #7 | C=CCC1=CC(O)=C(OC)C(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)=C1 | 3391.2 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #8 | C=CCC1=CC(O)=C(OC)C(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)=C1 | 3426.5 | Semi standard non polar | 33892256 | Sphalleroside A,3TBDMS,isomer #9 | C=CCC1=CC(O)=C(OC)C(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)=C1 | 3391.9 | Semi standard non polar | 33892256 | Sphalleroside A,4TBDMS,isomer #1 | C=CCC1=CC(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)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3592.7 | Semi standard non polar | 33892256 | Sphalleroside A,4TBDMS,isomer #2 | C=CCC1=CC(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)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3633.0 | Semi standard non polar | 33892256 | Sphalleroside A,4TBDMS,isomer #3 | C=CCC1=CC(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)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3592.8 | Semi standard non polar | 33892256 | Sphalleroside A,4TBDMS,isomer #4 | C=CCC1=CC(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)=C(OC)C(O[Si](C)(C)C(C)(C)C)=C1 | 3592.0 | Semi standard non polar | 33892256 | Sphalleroside A,4TBDMS,isomer #5 | C=CCC1=CC(O)=C(OC)C(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)=C1 | 3605.8 | 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 - Sphalleroside A GC-MS (Non-derivatized) - 70eV, Positive | splash10-074i-9344000000-9f2edbb531f3ae770a89 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Sphalleroside A GC-MS (4 TMS) - 70eV, Positive | splash10-014i-1163129000-c3852686cc281ea6184d | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Sphalleroside A 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 - Sphalleroside A 10V, Positive-QTOF | splash10-001l-0905000000-1041188f0851849bb3b0 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 20V, Positive-QTOF | splash10-001i-1900000000-c077b34504ba2ae72a06 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 40V, Positive-QTOF | splash10-015c-3900000000-fccd8737c0fcbedd0f6b | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 10V, Negative-QTOF | splash10-002f-1809000000-37ebbdb3b2cbbb446d0b | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 20V, Negative-QTOF | splash10-01t9-1901000000-ec43bd57640aa1252aca | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 40V, Negative-QTOF | splash10-03fr-2900000000-fd0639f51a793fba348f | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 10V, Positive-QTOF | splash10-000x-0903000000-b6a3d0b99b9b9ef38813 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 20V, Positive-QTOF | splash10-001u-0912000000-7bb83b23bcd0df8accb6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 40V, Positive-QTOF | splash10-0537-8900000000-c5754245bd241c24f4bb | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 10V, Negative-QTOF | splash10-0006-0109000000-721b2cb637682b1b5a6c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 20V, Negative-QTOF | splash10-002b-1910000000-23f9450bc346f097f4a0 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Sphalleroside A 40V, Negative-QTOF | splash10-0nmm-4900000000-ea32b0f18145e8dd141e | 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) | 2021-09-25 | 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 | FDB010734 |
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KNApSAcK ID | C00057996 |
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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 | 131751300 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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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 | rw1831431 |
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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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