| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-04-16 12:00:53 UTC |
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| Update date | 2018-04-17 10:31:44 UTC |
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| FoodComEx ID | PC001127 |
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| FoodDB Record | FDB002558 |
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| Chemical Information |
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| Name | Caffeic acid |
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| Description | Caffeic acid is an hydroxycinnamic acid present in many fruits and herbs. It is also a metabolite of chlorogenic acifd present in large amount in coffee. |
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| CAS Number | 331-39-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 3,4-Dihydroxybenzeneacrylate | HMDB | | 3,4-Dihydroxybenzeneacrylic acid | HMDB | | 3,4-Dihydroxycinnamate | Generator | | 3,4-Dihydroxycinnamic acid | ChEBI | | 3,4-Dihydroxycinnamic acid, 8CI | db_source | | Caffeate | ChEBI | | Caffeic acid | db_source | | Caffeic acid pure | HMDB | | Caffeicacid | HMDB | | cis-Caffeate | Generator | | cis-Caffeic acid | ChEBI |
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| Chemical Formula | C9H8O4 |
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| IUPAC name | (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
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| InChI Identifier | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ |
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| InChI Key | QAIPRVGONGVQAS-DUXPYHPUSA-N |
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| Isomeric SMILES | OC(=O)\C=C\C1=CC(O)=C(O)C=C1 |
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| Average Molecular Weight | 180.1574 |
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| Monoisotopic Molecular Weight | 180.042258744 |
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| Chemical Taxonomy |
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| Class | Polyphenols |
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| Family | Hydroxycinnamic acids |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Apple, berries, broccoli, carrot, tomato, coffee, ... |
| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 5 mg |
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| Delivery Time | 2 weeks |
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| Storage Form | powder |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | >95% |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
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| Commercial Vendors |
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| AKSci | A359 |
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| AKSci | J40037 |
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| AKSci | J92512 |
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| Cayman Chemical | 70602 |
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| Cayman Chemical | HMDB0001964 |
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| Glentham | GP1593 |
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| MetaSci | HMDB0001964 |
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| Toronto Research Chemicals | C080000 |
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