Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 00:56:50 UTC |
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Updated at | 2021-07-15 17:20:55 UTC |
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NP-MRD ID | NP0015775 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Flammuspirone J |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Flammuspirone J is found in Flammulina velutipes. It was first documented in 2016 (PMID: 27684789). Based on a literature review very few articles have been published on Flammuspirone J (PMID: 34383635) (PMID: 34383557) (PMID: 34383554) (PMID: 34383502). |
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Structure | [H]O[C@@]1([H])C([H])([H])[C@@]([H])(C(=C([H])[H])C([H])([H])[H])[C@@]([H])(O[H])[C@]2(C([H])=C(C(=O)C2([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])[H] InChI=1S/C15H22O3/c1-8(2)11-5-12(16)10(4)15(14(11)18)6-9(3)13(17)7-15/h6,10-12,14,16,18H,1,5,7H2,2-4H3/t10-,11+,12+,14-,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O3 |
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Average Mass | 250.3380 Da |
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Monoisotopic Mass | 250.15689 Da |
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IUPAC Name | (5R,6R,7S,9S,10S)-6,9-dihydroxy-3,10-dimethyl-7-(prop-1-en-2-yl)spiro[4.5]dec-3-en-2-one |
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Traditional Name | (5R,6R,7S,9S,10S)-6,9-dihydroxy-3,10-dimethyl-7-(prop-1-en-2-yl)spiro[4.5]dec-3-en-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1[C@@H](O)C[C@H]([C@@H](O)[C@@]11CC(=O)C(C)=C1)C(C)=C |
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InChI Identifier | InChI=1S/C15H22O3/c1-8(2)11-5-12(16)10(4)15(14(11)18)6-9(3)13(17)7-15/h6,10-12,14,16,18H,1,5,7H2,2-4H3/t10-,11+,12+,14-,15+/m1/s1 |
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InChI Key | QQPYRRKWBQDANM-NUNXZZDCSA-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, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, 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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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 | |
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General References | - Tao Q, Ma K, Yang Y, Wang K, Chen B, Huang Y, Han J, Bao L, Liu XB, Yang Z, Yin WB, Liu H: Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence. J Org Chem. 2016 Oct 21;81(20):9867-9877. doi: 10.1021/acs.joc.6b01971. Epub 2016 Oct 5. [PubMed:27684789 ]
- Tareen F, Ayroso VC, Tareen M, Jaafar M, Kakos E, Kamel D, Spielman AI: Opium. J Hist Dent. 2021 Spring;69(1):46-55. [PubMed:34383635 ]
- MacDorman MF, Thoma M, Declcerq E, Howell EA: Racial and Ethnic Disparities in Maternal Mortality in the United States Using Enhanced Vital Records, 20162017. Am J Public Health. 2021 Aug 12:e1-e9. doi: 10.2105/AJPH.2021.306375. [PubMed:34383557 ]
- Austin AE, Bona VD, Cox ME, Proescholdbell S, Fliss MD, Naumann RB: Prenatal Use of Medication for Opioid Use Disorder and Other Prescription Opioids in Cases of Neonatal Opioid Withdrawal Syndrome: North Carolina Medicaid, 2016-2018. Am J Public Health. 2021 Aug 12:e1-e4. doi: 10.2105/AJPH.2021.306374. [PubMed:34383554 ]
- Shang C, Chen J, Xu X, Liu S, Li L, Duo L, Zhang DH: Quantum Wave Packet Study of the H + Br2 --> HBr + Br Reaction on a New Ab Initio Potential Energy Surface. J Phys Chem A. 2021 Aug 12. doi: 10.1021/acs.jpca.1c05867. [PubMed:34383502 ]
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