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 23:13:22 UTC |
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Update Date | 2022-03-07 02:55:34 UTC |
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HMDB ID | HMDB0037954 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | (+)-Epicatechin |
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Description | (+)-Epicatechin, also known as ent-epicatechin, belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol (+)-Epicatechin is found, on average, in the highest concentration within pears (Pyrus communis) (+)-Epicatechin has also been detected, but not quantified in, several different foods, such as lettuces (Lactuca sativa), green tea, apples (Malus pumila), teas (Camellia sinensis), and common buckwheats (Fagopyrum esculentum). This could make (+)-epicatechin a potential biomarker for the consumption of these foods (+)-Epicatechin 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 (+)-Epicatechin. |
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Structure | O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1 InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
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Synonyms | Value | Source |
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(2S,3S)-3',4',5,7-Tetrahydroxyflavan-3-ol | ChEBI | (2S,3S)-3,3',4',5,7-Pentahydroxyflavan | ChEBI | ent-Epicatechin | ChEBI | (+)-cis-3,3',4',5,7-Pentahydroxyflavan | HMDB | (+)-Epicatechol | HMDB | (2S,3S)-(+)-Epicatechin | HMDB | (2S-cis)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol | HMDB | Catechin C | HMDB | D-Epicatechin | HMDB |
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Chemical Formula | C15H14O6 |
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Average Molecular Weight | 290.2681 |
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Monoisotopic Molecular Weight | 290.07903818 |
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IUPAC Name | (2S,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol |
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Traditional Name | l-epicatechin |
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CAS Registry Number | 35323-91-2 |
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SMILES | O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1 |
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InChI Identifier | InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m0/s1 |
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InChI Key | PFTAWBLQPZVEMU-ZFWWWQNUSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as catechins. Catechins are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-Tiol. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Flavonoids |
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Sub Class | Flavans |
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Direct Parent | Catechins |
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Alternative Parents | |
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Substituents | - Catechin
- 3'-hydroxyflavonoid
- 3-hydroxyflavonoid
- 4'-hydroxyflavonoid
- 5-hydroxyflavonoid
- 7-hydroxyflavonoid
- Hydroxyflavonoid
- Chromane
- Benzopyran
- 1-benzopyran
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Polyol
- Ether
- Organic oxygen compound
- Alcohol
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic 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 | |
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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 | | 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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(+)-Epicatechin,1TMS,isomer #1 | C[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C1 | 3049.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TMS,isomer #2 | C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@H](C1=CC=C(O)C(O)=C1)O2 | 3030.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TMS,isomer #3 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3091.6 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TMS,isomer #4 | C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)=CC=C1O | 3082.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TMS,isomer #5 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O | 3085.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #1 | C[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C)[C@H](C1=CC=C(O)C(O)=C1)O2 | 2981.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #10 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C | 2976.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #2 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 2969.7 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #3 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O | 3009.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #4 | C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)=CC=C1O | 3012.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #5 | C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 2914.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #6 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O | 2956.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #7 | C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)=CC=C1O | 2959.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #8 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1 | 2992.7 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TMS,isomer #9 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1 | 2987.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 2818.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #10 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1 | 2852.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #2 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O | 2835.3 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #3 | C[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)=CC=C1O | 2846.6 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #4 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1 | 2802.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #5 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1 | 2810.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #6 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2889.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #7 | C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 2879.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #8 | C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 2882.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TMS,isomer #9 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C | 2856.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C)=C1 | 2849.5 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 2852.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TMS,isomer #3 | C[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C[C@@H]2O[Si](C)(C)C)C=C1O[Si](C)(C)C | 2821.7 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TMS,isomer #4 | C[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1 | 2821.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TMS,isomer #5 | C[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 2896.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,5TMS,isomer #1 | C[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)O2)C(O[Si](C)(C)C)=C1 | 2897.5 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC=C(O)C(O)=C1 | 3359.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O)[C@H](C1=CC=C(O)C(O)=C1)O2 | 3331.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3363.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)=CC=C1O | 3374.5 | Semi standard non polar | 33892256 | (+)-Epicatechin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O | 3381.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C1=CC=C(O)C(O)=C1)O2 | 3518.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3542.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)OC2=C1 | 3500.6 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O | 3575.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3559.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3450.5 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O | 3498.3 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)=CC=C1O | 3472.3 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1 | 3539.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3504.9 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3546.6 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3617.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O | 3600.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)=CC=C1O | 3593.4 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1 | 3583.6 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3584.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3623.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3659.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3627.1 | Semi standard non polar | 33892256 | (+)-Epicatechin,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O)C=C1O[Si](C)(C)C(C)(C)C | 3610.5 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3761.3 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3742.8 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC1=CC=C([C@@H]2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C[C@@H]2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C | 3723.2 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1 | 3725.7 | Semi standard non polar | 33892256 | (+)-Epicatechin,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3782.0 | Semi standard non polar | 33892256 | (+)-Epicatechin,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)O2)C(O[Si](C)(C)C(C)(C)C)=C1 | 3906.0 | 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 - (+)-Epicatechin GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-0940000000-635a87e4fbbe005b1b88 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-Epicatechin GC-MS (5 TMS) - 70eV, Positive | splash10-000i-3130069000-ca0968505fc89dd82640 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-Epicatechin GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - (+)-Epicatechin 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 - (+)-Epicatechin LC-ESI-QTOF , negative-QTOF | splash10-052r-0980000000-b5cee6aae1e7952a7d9f | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin LC-ESI-QTOF , positive-QTOF | splash10-0079-0900000000-9a4ec6a24f97ad3fd9f2 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOF | splash10-00di-0900000000-c152f224fc3c49acdeb5 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-007c-0920000000-91de0a80259cfbc0113b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOF | splash10-00dr-0900000000-437372b0d194754905ce | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOF | splash10-0g6r-0900000000-5069537b6f392aae0fe1 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-0006-0590000000-516859cd7060b2bf898b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOF | splash10-000i-0910000000-7236013988c20252d8c7 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 30V, Positive-QTOF | splash10-0079-0900000000-9afe75272afab175f889 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 50V, Positive-QTOF | splash10-01bi-2900000000-56fefff3a8f788f1a1ca | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOF | splash10-0006-0490000000-1b85894a81aba913bda3 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-0006-0490000000-80c202adef30df74053b | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-000i-0910000000-fd8f0d6d6ee1a117d994 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOF | splash10-007c-0920000000-ca2ff9eca6136f481a1d | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-0006-0690000000-31f869b582ff052495f7 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-0079-0910000000-7c1c4c01e56414dde318 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOF | splash10-0006-0590000000-b3372a9dc6a409ae8998 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - (+)-Epicatechin 6V, Positive-QTOF | splash10-0079-0900000000-9731a6caadd423aea0a1 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Negative-QTOF | splash10-000i-0290000000-52e8123f5ed55bc47962 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 20V, Negative-QTOF | splash10-000i-0940000000-cfcd9b4e416f64a26916 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 40V, Negative-QTOF | splash10-0a6r-2910000000-be77474275eeee51824b | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Negative-QTOF | splash10-000i-0090000000-f6afeb92914fea4cf8de | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 20V, Negative-QTOF | splash10-0079-0690000000-76f0c4a6b193c78824c1 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 40V, Negative-QTOF | splash10-00dr-1940000000-cc596c4cbd5f45583cb1 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - (+)-Epicatechin 10V, Positive-QTOF | splash10-0006-0590000000-aff1c3cc94786f87cacf | 2016-08-03 | 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 | 147 |
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FooDB ID | FDB017126 |
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KNApSAcK ID | C00000957 |
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Chemspider ID | 158494 |
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KEGG Compound ID | C09728 |
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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 | 182232 |
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PDB ID | Not Available |
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ChEBI ID | 76125 |
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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 | rw1680961 |
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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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