| Record Information |
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| Version | 2.0 |
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| Created at | 2021-06-22 17:41:48 UTC |
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| Updated at | 2026-02-08 04:14:36 UTC |
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| NP-MRD ID | NP0043938 |
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| Natural Product DOI | https://doi.org/10.57994/5689 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Oleoylbitalin A |
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| Description | Oleoylbitalin A belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure. Oleoylbitalin A is found in Helichrysum italicum and Helichrysum italicum subsp. Microphyllum. Oleoylbitalin A was first documented in 2013 (PMID: 23265253). Based on a literature review very few articles have been published on Oleoylbitalin A. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C31H46O4 |
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| Average Mass | 482.7050 Da |
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| Monoisotopic Mass | 482.33961 Da |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C31H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(33)34-24-25(2)30-23-28-22-27(26(3)32)20-21-29(28)35-30/h11-12,20-22,30H,2,4-10,13-19,23-24H2,1,3H3/b12-11-/t30-/m1/s1 |
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| InChI Key | XHZDCOHEWFWFQX-FNFBAFLYSA-N |
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| Experimental Spectra |
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| | Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| | | Species |
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| Species of Origin | |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as acetophenones. These are organic compounds containing the acetophenone structure. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Acetophenones |
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| Direct Parent | Acetophenones |
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| Alternative Parents | |
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| Substituents | - Acetophenone
- Coumaran
- Aryl alkyl ketone
- Aryl ketone
- Alkyl aryl ether
- Fatty acid ester
- Fatty acyl
- Carboxylic acid ester
- Ketone
- Carboxylic acid derivative
- Ether
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental 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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| Predicted Properties | Not Available |
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| External Links |
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| HMDB ID | Not Available |
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| DrugBank ID | Not Available |
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| Phenol Explorer Compound ID | Not Available |
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| FoodDB ID | Not Available |
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| KNApSAcK ID | Not Available |
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| Chemspider ID | 29418819 |
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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 | 71659266 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| Good Scents ID | Not Available |
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| References |
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| General References | - Taglialatela-Scafati O, Pollastro F, Chianese G, Minassi A, Gibbons S, Arunotayanun W, Mabebie B, Ballero M, Appendino G: Antimicrobial phenolics and unusual glycerides from Helichrysum italicum subsp. microphyllum. J Nat Prod. 2013 Mar 22;76(3):346-53. doi: 10.1021/np3007149. Epub 2012 Dec 24. [PubMed:23265253 ]
- DOI: 10.1021/np3007149
- PMID: 23265253
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