Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 00:45:10 UTC |
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Update Date | 2022-03-07 02:56:10 UTC |
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HMDB ID | HMDB0039334 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Citrusin D |
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Description | Citrusin D belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a small amount of articles have been published on Citrusin D. |
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Structure | COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1 InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2- |
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Synonyms | Value | Source |
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Isoconiferin | 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 | 2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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Traditional Name | 2-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol |
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CAS Registry Number | 65995-51-9 |
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SMILES | COC1=C(O)C=CC(\C=C/COC2OC(CO)C(O)C(O)C2O)=C1 |
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InChI Identifier | InChI=1S/C16H22O8/c1-22-11-7-9(4-5-10(11)18)3-2-6-23-16-15(21)14(20)13(19)12(8-17)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2- |
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InChI Key | JOIDTHZGWZZGMU-IHWYPQMZSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acyl glycosides |
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Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
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Alternative Parents | |
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Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Alkyl glycoside
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Styrene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Monocyclic benzene moiety
- Benzenoid
- Monosaccharide
- Oxane
- Secondary alcohol
- Organoheterocyclic compound
- Ether
- Acetal
- Oxacycle
- Polyol
- Primary alcohol
- Alcohol
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- 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 | |
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Role | |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 26450 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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Citrusin D,1TMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C | 3180.8 | Semi standard non polar | 33892256 | Citrusin D,1TMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O | 3128.0 | Semi standard non polar | 33892256 | Citrusin D,1TMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O | 3109.9 | Semi standard non polar | 33892256 | Citrusin D,1TMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O | 3106.7 | Semi standard non polar | 33892256 | Citrusin D,1TMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O | 3114.5 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C | 3114.9 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #10 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3085.1 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C | 3095.1 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3105.4 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3095.6 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O | 3089.2 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #6 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O | 3087.1 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #7 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O | 3090.8 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #8 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O | 3061.2 | Semi standard non polar | 33892256 | Citrusin D,2TMS,isomer #9 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O | 3074.2 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C | 3062.0 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #10 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3033.7 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3048.9 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3065.3 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3038.2 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3059.1 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #6 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3060.4 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #7 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O | 3041.6 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #8 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O | 3078.5 | Semi standard non polar | 33892256 | Citrusin D,3TMS,isomer #9 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3043.9 | Semi standard non polar | 33892256 | Citrusin D,4TMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O[Si](C)(C)C | 3052.5 | Semi standard non polar | 33892256 | Citrusin D,4TMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3083.5 | Semi standard non polar | 33892256 | Citrusin D,4TMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3043.5 | Semi standard non polar | 33892256 | Citrusin D,4TMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O[Si](C)(C)C | 3039.5 | Semi standard non polar | 33892256 | Citrusin D,4TMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O | 3069.4 | Semi standard non polar | 33892256 | Citrusin D,5TMS,isomer #1 | COC1=CC(/C=C\COC2OC(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 | 3107.7 | Semi standard non polar | 33892256 | Citrusin D,1TBDMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3444.3 | Semi standard non polar | 33892256 | Citrusin D,1TBDMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O | 3402.1 | Semi standard non polar | 33892256 | Citrusin D,1TBDMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O | 3399.7 | Semi standard non polar | 33892256 | Citrusin D,1TBDMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3383.9 | Semi standard non polar | 33892256 | Citrusin D,1TBDMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3399.7 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #1 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3600.9 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #10 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3609.0 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #2 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3631.1 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #3 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O[Si](C)(C)C(C)(C)C | 3612.8 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #4 | COC1=CC(/C=C\COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O[Si](C)(C)C(C)(C)C | 3626.3 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #5 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O | 3590.2 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #6 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3572.0 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #7 | COC1=CC(/C=C\COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3590.4 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #8 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O | 3591.7 | Semi standard non polar | 33892256 | Citrusin D,2TBDMS,isomer #9 | COC1=CC(/C=C\COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3603.0 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #1 | COC1=CC(/C=C\COC2OC(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 | 3790.3 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #10 | COC1=CC(/C=C\COC2OC(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 | 3776.2 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #2 | COC1=CC(/C=C\COC2OC(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 | 3781.4 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #3 | COC1=CC(/C=C\COC2OC(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 | 3785.8 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #4 | COC1=CC(/C=C\COC2OC(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 | 3792.3 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #5 | COC1=CC(/C=C\COC2OC(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 | 3806.0 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #6 | COC1=CC(/C=C\COC2OC(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 | 3810.2 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #7 | COC1=CC(/C=C\COC2OC(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 | 3763.3 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #8 | COC1=CC(/C=C\COC2OC(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 | 3801.5 | Semi standard non polar | 33892256 | Citrusin D,3TBDMS,isomer #9 | COC1=CC(/C=C\COC2OC(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 | 3758.3 | Semi standard non polar | 33892256 | Citrusin D,4TBDMS,isomer #1 | COC1=CC(/C=C\COC2OC(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 | 3974.7 | Semi standard non polar | 33892256 | Citrusin D,4TBDMS,isomer #2 | COC1=CC(/C=C\COC2OC(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 | 4017.9 | Semi standard non polar | 33892256 | Citrusin D,4TBDMS,isomer #3 | COC1=CC(/C=C\COC2OC(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 | 3974.1 | Semi standard non polar | 33892256 | Citrusin D,4TBDMS,isomer #4 | COC1=CC(/C=C\COC2OC(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 | 3967.7 | Semi standard non polar | 33892256 | Citrusin D,4TBDMS,isomer #5 | COC1=CC(/C=C\COC2OC(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 | 3988.2 | 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 - Citrusin D GC-MS (Non-derivatized) - 70eV, Positive | splash10-08mi-9444000000-6ce121f4cb1d78440737 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Citrusin D GC-MS (4 TMS) - 70eV, Positive | splash10-014i-1273129000-808c80940f0463515d68 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Citrusin D 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 - Citrusin D 10V, Positive-QTOF | splash10-01r6-0509000000-7fbb21ff4cd473fada66 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 20V, Positive-QTOF | splash10-03di-0901000000-62d999ef30a4e83f786f | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 40V, Positive-QTOF | splash10-03di-4900000000-8337f01874e6630fd6ab | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 10V, Negative-QTOF | splash10-0006-2609000000-b4174d1f267ac9787bec | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 20V, Negative-QTOF | splash10-03mi-3902000000-56d6ba59a67781e52ebb | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 40V, Negative-QTOF | splash10-0a4l-9400000000-383e73410691bfc589e2 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 10V, Positive-QTOF | splash10-03ed-0904000000-fff88ca50d82578dd807 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 20V, Positive-QTOF | splash10-000t-0910000000-2b20fad4f6098c6c1ff8 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 40V, Positive-QTOF | splash10-075l-1920000000-e09af6846555ce2170cc | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 10V, Negative-QTOF | splash10-0006-0119000000-d7aa4afecf13bd9a2c7b | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 20V, Negative-QTOF | splash10-000i-4924000000-241bf4dd984ec93abbd8 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Citrusin D 40V, Negative-QTOF | splash10-000m-6596000000-6b2ee9d4289cdce59d76 | 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) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | 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 | FDB018887 |
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KNApSAcK ID | C00053975 |
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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 | 131752609 |
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PDB ID | Not Available |
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ChEBI ID | 175342 |
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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 | rw1876301 |
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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 | - Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
- Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
- Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
- Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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