Record Information |
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Version | 1.0 |
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Created at | 2022-09-07 23:00:14 UTC |
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Updated at | 2022-09-07 23:00:14 UTC |
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NP-MRD ID | NP0257781 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-hydroxy-2-[(1s,5r)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione |
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Description | Flamvelutpenoid D belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 5-hydroxy-2-[(1s,5r)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione is found in Flammulina velutipes. It was first documented in 2022 (PMID: 36100189). Based on a literature review a significant number of articles have been published on Flamvelutpenoid D (PMID: 36100184) (PMID: 36100130) (PMID: 36100104) (PMID: 36100063). |
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Structure | CC1(C)C(=O)C[C@@H](O)[C@]1(C)C1=CC(=O)C(C)(O)CC1=O InChI=1S/C15H20O5/c1-13(2)10(17)6-12(19)15(13,4)8-5-11(18)14(3,20)7-9(8)16/h5,12,19-20H,6-7H2,1-4H3/t12-,14?,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H20O5 |
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Average Mass | 280.3200 Da |
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Monoisotopic Mass | 280.13107 Da |
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IUPAC Name | 5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione |
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Traditional Name | 5-hydroxy-2-[(1S,5R)-5-hydroxy-1,2,2-trimethyl-3-oxocyclopentyl]-5-methylcyclohex-2-ene-1,4-dione |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)C(=O)C[C@@H](O)[C@]1(C)C1=CC(=O)C(C)(O)CC1=O |
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InChI Identifier | InChI=1S/C15H20O5/c1-13(2)10(17)6-12(19)15(13,4)8-5-11(18)14(3,20)7-9(8)16/h5,12,19-20H,6-7H2,1-4H3/t12-,14?,15+/m1/s1 |
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InChI Key | QVCAIXDRZPUSFM-ATFAPYMMSA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | 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 sesquiterpenoids. These are terpenes with three consecutive isoprene units. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Sesquiterpenoid
- Cuparane sesquiterpenoid
- Cyclohexenone
- Acyloin
- Cyclopentanol
- Cyclic alcohol
- Tertiary alcohol
- Ketone
- Secondary alcohol
- Cyclic ketone
- Organic oxygen compound
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Organooxygen compound
- Alcohol
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic 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 | |
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General References | - Wang S, Teng Z, Li Y, Chen F, Liu X, Liu S, He J, Wang W: A novel vertical dual-loop limited oxygen reactor for rapid start-up of simultaneous partial nitritation and anammox process: Performances and mechanisms of efficient nitrogen removal from landfill leachate. Bioresour Technol. 2022 Sep 10:127947. doi: 10.1016/j.biortech.2022.127947. [PubMed:36100189 ]
- Lee HS, Xin W, Katakojwala R, Venkata Mohan S, Md Tabish N: Microbial electrolysis cells for the production of biohydrogen in dark fermentation- A review. Bioresour Technol. 2022 Sep 10:127934. doi: 10.1016/j.biortech.2022.127934. [PubMed:36100184 ]
- Erben Y, Marquez CP, Prudencio M, Fortich S, Gendron T, Sanghavi D, Hickson L, Li Y, Edwards MA, Ritchie C, Moreno Franco P, Petrucelli L, Meschia JF: Race affects adverse outcomes of Deep Venous Thrombosis, Pulmonary Embolism, and Acute Kidney Injury in COVID-19 Hospitalized Patients. J Vasc Surg Venous Lymphat Disord. 2022 Sep 10. pii: S2213-333X(22)00356-0. doi: 10.1016/j.jvsv.2022.05.019. [PubMed:36100130 ]
- Dundar OA, Mehenktas C, Ozgur Arar: Removal of Antimony(III) and Antimony(V) from water samples through water-soluble polymer-enhanced ultrafiltration. Environ Res. 2022 Sep 10:114324. doi: 10.1016/j.envres.2022.114324. [PubMed:36100104 ]
- Lee SY, Kim KR: Factors Affecting Adverse Events after Venous Malformation Sclerotherapy: Single Vascular Anomalies Center Experience. J Vasc Interv Radiol. 2022 Sep 10. pii: S1051-0443(22)01186-1. doi: 10.1016/j.jvir.2022.09.001. [PubMed:36100063 ]
- LOTUS database [Link]
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