Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-25 21:09:22 UTC |
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Update Date | 2016-11-09 01:17:44 UTC |
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Accession Number | CHEM023575 |
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Identification |
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Common Name | D-erythro-L-galacto-Nonulose |
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Class | Small Molecule |
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Description | Present in avocado. D-erythro-L-galacto-Nonulose is found in fruits. |
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Contaminant Sources | |
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Not Available |
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Chemical Formula | C27H54O27 |
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Average Molecular Mass | 810.702 g/mol |
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Monoisotopic Mass | 810.285 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | 1,3,4,5,6,7,8,9-octahydroxynonan-2-one; 1-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]butane-1,2,3,4-tetrol; 2-(hydroxymethyl)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol |
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Traditional Name | 1,3,4,5,6,7,8,9-octahydroxynonan-2-one; 1-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]butane-1,2,3,4-tetrol; 2-(hydroxymethyl)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol |
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SMILES | OCC(O)C(O)C(O)C(O)C(O)C(O)C(=O)CO.OCC(O)C(O)C(O)C1OC(O)(CO)C(O)C1O.OCC(O)C(O)C1OC(O)(CO)C(O)C(O)C1O |
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InChI Identifier | InChI=1S/3C9H18O9/c10-1-3(12)4(13)7-5(14)6(15)8(16)9(17,2-11)18-7;10-1-3(12)4(13)5(14)7-6(15)8(16)9(17,2-11)18-7;10-1-3(12)5(14)7(16)9(18)8(17)6(15)4(13)2-11/h2*3-8,10-17H,1-2H2;3,5-12,14-18H,1-2H2 |
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InChI Key | DKEWTUYUAFDQSI-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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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 | C-glycosyl compounds |
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Alternative Parents | |
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Substituents | - C-glycosyl compound
- Acyloin
- Beta-hydroxy ketone
- Monosaccharide
- Oxane
- Sugar alcohol
- Alpha-hydroxy ketone
- Tetrahydrofuran
- Secondary alcohol
- Ketone
- Hemiacetal
- Polyol
- Organoheterocyclic compound
- Oxacycle
- Primary alcohol
- Carbonyl group
- Organic oxide
- Alcohol
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
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Molecular Framework | Not Available |
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External Descriptors | Not Available |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0000000090-d7efebc8b2a647761a46 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-0000000090-d7efebc8b2a647761a46 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-0000000090-d7efebc8b2a647761a46 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0000000090-cf128bd0a0d3fd61dd0a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-0000000090-cf128bd0a0d3fd61dd0a | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4i-0000000090-cf128bd0a0d3fd61dd0a | Spectrum |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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FooDB ID | FDB001235 |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Not Available |
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Chemspider ID | Not Available |
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ChEBI ID | Not Available |
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PubChem Compound ID | Not Available |
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Kegg Compound ID | Not Available |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | Not Available |
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