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 17:41:21 UTC |
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Update Date | 2022-03-07 02:52:51 UTC |
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HMDB ID | HMDB0031159 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Garcinia acid |
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Description | 1,2-dihydroxypropane-1,2,3-tricarboxylic acid belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review very few articles have been published on 1,2-dihydroxypropane-1,2,3-tricarboxylic acid. |
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Structure | OC(C(O)=O)C(O)(CC(O)=O)C(O)=O InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13) |
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Synonyms | Value | Source |
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1,2-Dihydroxypropane-1,2,3-tricarboxylate | Generator | (-)-Hydroxycitric acid | HMDB | (1S,2S)-1,2-Dihydroxypropane-1,2,3-tricarboxylic acid | HMDB | 1,2-Dihydroxy-1,2,3-propanetricarboxylic acid, 8ci | HMDB | D-erythro-Form | HMDB | Hydroxycitrate | HMDB, MeSH | Hydroxycitric acid | HMDB | Super citrimax hca 600SXS | HMDB | HAES CPD | MeSH, HMDB | Hydroxycitric acid, trisodium salt, (erythro-(+-))-isomer | MeSH, HMDB | Hydroxycitric acid, sodium salt | MeSH, HMDB | Hydroxycitric acid, threo-(D)-isomer | MeSH, HMDB | Hydroxycitric acid, threo-(L)-isomer | MeSH, HMDB | (+)-Allohydroxycitric acid | MeSH, HMDB | Allo-2-hydroxycitric acid | MeSH, HMDB | Garcinia acid | MeSH | Hibiscus acid | MeSH, HMDB | Hydroxycitric acid ethylenediamine salt | MeSH, HMDB | Hydroxycitric acid, erythro-(D)-isomer | MeSH, HMDB | Hydroxycitric acid, trisodium salt | MeSH, HMDB |
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Chemical Formula | C6H8O8 |
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Average Molecular Weight | 208.1229 |
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Monoisotopic Molecular Weight | 208.021917232 |
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IUPAC Name | 1,2-dihydroxypropane-1,2,3-tricarboxylic acid |
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Traditional Name | hydroxycitric acid |
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CAS Registry Number | 27750-10-3 |
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SMILES | OC(C(O)=O)C(O)(CC(O)=O)C(O)=O |
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InChI Identifier | InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13) |
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InChI Key | ZMJBYMUCKBYSCP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Carboxylic acids and derivatives |
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Sub Class | Tricarboxylic acids and derivatives |
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Direct Parent | Tricarboxylic acids and derivatives |
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Alternative Parents | |
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Substituents | - Tricarboxylic acid or derivatives
- Beta-hydroxy acid
- Monosaccharide
- Hydroxy acid
- Alpha-hydroxy acid
- Tertiary alcohol
- Secondary alcohol
- 1,2-diol
- Carboxylic acid
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic oxide
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Not Available | Not Available |
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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 | Not Available | Not Available | LogP | Not Available | Not Available |
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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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Garcinia acid,1TMS,isomer #1 | C[Si](C)(C)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O | 1813.5 | Semi standard non polar | 33892256 | Garcinia acid,1TMS,isomer #2 | C[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O | 1787.5 | Semi standard non polar | 33892256 | Garcinia acid,1TMS,isomer #3 | C[Si](C)(C)OC(CC(=O)O)(C(=O)O)C(O)C(=O)O | 1826.5 | Semi standard non polar | 33892256 | Garcinia acid,1TMS,isomer #4 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O | 1795.3 | Semi standard non polar | 33892256 | Garcinia acid,1TMS,isomer #5 | C[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O)C(=O)O | 1768.1 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O | 1847.2 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #10 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O)C(=O)O | 1794.2 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #2 | C[Si](C)(C)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O | 1892.3 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #3 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C)C(=O)O | 1834.1 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #4 | C[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O[Si](C)(C)C)C(=O)O | 1823.2 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #5 | C[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O | 1853.8 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #6 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O[Si](C)(C)C | 1816.2 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #7 | C[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C | 1794.9 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #8 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O)C(=O)O | 1851.1 | Semi standard non polar | 33892256 | Garcinia acid,2TMS,isomer #9 | C[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C)C(O)C(=O)O | 1821.3 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O | 1875.0 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #10 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O)C(=O)O | 1845.6 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1838.5 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C | 1851.2 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #4 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O[Si](C)(C)C)C(=O)O | 1871.7 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #5 | C[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O | 1876.7 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #6 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O | 1843.5 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #7 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O)C(=O)O[Si](C)(C)C | 1831.9 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #8 | C[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1855.3 | Semi standard non polar | 33892256 | Garcinia acid,3TMS,isomer #9 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C | 1816.8 | Semi standard non polar | 33892256 | Garcinia acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1852.5 | Semi standard non polar | 33892256 | Garcinia acid,4TMS,isomer #2 | C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(CC(=O)O)(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1897.6 | Semi standard non polar | 33892256 | Garcinia acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1885.6 | Semi standard non polar | 33892256 | Garcinia acid,4TMS,isomer #4 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O | 1870.2 | Semi standard non polar | 33892256 | Garcinia acid,4TMS,isomer #5 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C | 1891.6 | Semi standard non polar | 33892256 | Garcinia acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C | 1913.6 | Semi standard non polar | 33892256 | Garcinia acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)(CC(=O)O)C(=O)O | 2071.6 | Semi standard non polar | 33892256 | Garcinia acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O | 2052.9 | Semi standard non polar | 33892256 | Garcinia acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(CC(=O)O)(C(=O)O)C(O)C(=O)O | 2055.1 | Semi standard non polar | 33892256 | Garcinia acid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O | 2066.9 | Semi standard non polar | 33892256 | Garcinia acid,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O)C(=O)O | 2055.2 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O | 2299.0 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O | 2301.9 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(C(=O)O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O | 2313.5 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2288.9 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C(O)(CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2298.6 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O | 2285.0 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O)C(=O)O[Si](C)(C)C(C)(C)C | 2291.0 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2296.6 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O)C(=O)O | 2279.3 | Semi standard non polar | 33892256 | Garcinia acid,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O | 2272.6 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O | 2513.6 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O | 2505.9 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2502.4 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C | 2518.8 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2517.2 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2514.6 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2527.9 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O)C(=O)O[Si](C)(C)C(C)(C)C | 2522.8 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)C(O)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2515.2 | Semi standard non polar | 33892256 | Garcinia acid,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C | 2510.8 | Semi standard non polar | 33892256 | Garcinia acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2724.2 | Semi standard non polar | 33892256 | Garcinia acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2719.7 | Semi standard non polar | 33892256 | Garcinia acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2705.1 | Semi standard non polar | 33892256 | Garcinia acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O | 2724.2 | Semi standard non polar | 33892256 | Garcinia acid,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C | 2731.4 | Semi standard non polar | 33892256 | Garcinia acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C | 2907.4 | Semi standard non polar | 33892256 |
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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 - Garcinia acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-001l-6900000000-82f9e2f747bf9ba0fc1d | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (5 TMS) - 70eV, Positive | splash10-0ufr-5023930000-9356db701dfe00d4e7d5 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Garcinia acid GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-05 | 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 - Garcinia acid 10V, Positive-QTOF | splash10-0007-0900000000-d165d1fbf5d10c48163e | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 20V, Positive-QTOF | splash10-0j6s-5900000000-4ee16ce3b9d56a2ca361 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 40V, Positive-QTOF | splash10-0170-7900000000-6f569c1d5f613a2a6b62 | 2015-04-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 10V, Negative-QTOF | splash10-00m0-2900000000-b9a0f98a241df82da501 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 20V, Negative-QTOF | splash10-00li-9800000000-5b6d2e6db6c6b0f80e02 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 40V, Negative-QTOF | splash10-066r-9400000000-a8332dfafaf4e076ff43 | 2015-04-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 10V, Negative-QTOF | splash10-029j-6900000000-6c1f6f67746f39850f49 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 20V, Negative-QTOF | splash10-000i-9700000000-03a8a3f221c81a9e4cfa | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 40V, Negative-QTOF | splash10-000i-9000000000-028f59ca098b1389b5db | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 10V, Positive-QTOF | splash10-0a6u-5950000000-f1a067f8aae40f73dab3 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 20V, Positive-QTOF | splash10-0a6r-9000000000-ff4b25d03e967f3ff4a3 | 2021-09-25 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Garcinia acid 40V, Positive-QTOF | splash10-0a4i-9000000000-4fe0cf36350cadd82bf6 | 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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