| Record Information |
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| Version | 2.0 |
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| Created at | 2023-01-16 20:01:05 UTC |
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| Updated at | 2024-09-03 04:15:49 UTC |
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| NP-MRD ID | NP0331462 |
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| Natural Product DOI | https://doi.org/10.57994/0413 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Baccaramione B |
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| Description | Baccaramione B was first documented in 2023 (PMID: 36516399). Based on a literature review very few articles have been published on Baccaramione B. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C18H20O4 |
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| Average Mass | 300.3540 Da |
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| Monoisotopic Mass | 300.13616 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/C18H20O4/c1-17(2)16(21)14(20)9-12-11-8-15(22-4)13(19)7-10(11)5-6-18(12,17)3/h5-9,16,19,21H,1-4H3/t16-,18+/m0/s1 |
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| InChI Key | AKLPLQSRHKHNCG-FUHWJXTLSA-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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| NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D_DEPT NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental) | zbbrush@simm.ac.cn | Not Available | Not Available | 2024-05-11 | View Spectrum |
| | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | | Species Name | Source | Reference |
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| ramiflora | | |
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| Chemical Taxonomy |
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| Classification | Not classified |
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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 | Not Available |
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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 | Not Available |
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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 | - Chen SS, Tong X, Liu XY, Zheng CY, Zhou JS, Fan YY, He SJ, Zhou B, Yue JM: Baccaramiones A-D, Four Highly Oxygenated and Rearranged Trinorditerpenoids from Baccaurea ramiflora. J Org Chem. 2023 Jan 6;88(1):455-461. doi: 10.1021/acs.joc.2c02442. Epub 2022 Dec 14. [PubMed:36516399 ]
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