Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 10:20:18 UTC |
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Update Date | 2021-09-26 23:05:02 UTC |
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HMDB ID | HMDB0252449 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Formycin b |
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Description | 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one is an extremely weak basic (essentially neutral) compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Formycin b is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Formycin b is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | OCC1OC(C(O)C1O)C1=NNC2=C1N=CNC2=O InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18) |
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Synonyms | Not Available |
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Chemical Formula | C10H12N4O5 |
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Average Molecular Weight | 268.229 |
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Monoisotopic Molecular Weight | 268.080769502 |
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IUPAC Name | 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one |
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Traditional Name | 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H,6H-pyrazolo[4,3-d]pyrimidin-7-one |
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CAS Registry Number | Not Available |
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SMILES | OCC1OC(C(O)C1O)C1=NNC2=C1N=CNC2=O |
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InChI Identifier | InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18) |
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InChI Key | MTCJZZBQNCXKAP-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | C-glycosyl compounds |
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Alternative Parents | |
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Substituents | - C-glycosyl compound
- Pentose monosaccharide
- Pyrazolopyrimidine
- Pyrimidone
- Monosaccharide
- Pyrimidine
- Vinylogous amide
- Tetrahydrofuran
- Heteroaromatic compound
- Azole
- Pyrazole
- Secondary alcohol
- Azacycle
- Organoheterocyclic compound
- Oxacycle
- Dialkyl ether
- Ether
- Hydrocarbon derivative
- Organonitrogen compound
- Alcohol
- Organopnictogen compound
- Primary alcohol
- Organic nitrogen compound
- Organic oxide
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Formycin b,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2657.1 | Semi standard non polar | 33892256 | Formycin b,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2736.8 | Standard non polar | 33892256 | Formycin b,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3253.8 | Standard polar | 33892256 | Formycin b,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2666.8 | Semi standard non polar | 33892256 | Formycin b,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2840.7 | Standard non polar | 33892256 | Formycin b,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3283.5 | Standard polar | 33892256 | Formycin b,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O | 2720.8 | Semi standard non polar | 33892256 | Formycin b,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O | 2865.7 | Standard non polar | 33892256 | Formycin b,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O | 3497.4 | Standard polar | 33892256 | Formycin b,4TMS,isomer #4 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C | 2737.4 | Semi standard non polar | 33892256 | Formycin b,4TMS,isomer #4 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C | 2866.5 | Standard non polar | 33892256 | Formycin b,4TMS,isomer #4 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C | 3473.5 | Standard polar | 33892256 | Formycin b,4TMS,isomer #5 | C[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C | 2744.7 | Semi standard non polar | 33892256 | Formycin b,4TMS,isomer #5 | C[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C | 2816.7 | Standard non polar | 33892256 | Formycin b,4TMS,isomer #5 | C[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C1O[Si](C)(C)C | 3408.7 | Standard polar | 33892256 | Formycin b,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2725.1 | Semi standard non polar | 33892256 | Formycin b,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 2824.9 | Standard non polar | 33892256 | Formycin b,5TMS,isomer #1 | C[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C)C3=C2N=CN([Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 3168.8 | Standard polar | 33892256 | Formycin b,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3378.0 | Semi standard non polar | 33892256 | Formycin b,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3502.9 | Standard non polar | 33892256 | Formycin b,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=C[NH]C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3508.8 | Standard polar | 33892256 | Formycin b,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3504.1 | Semi standard non polar | 33892256 | Formycin b,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3620.0 | Standard non polar | 33892256 | Formycin b,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(C2=N[NH]C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3573.5 | Standard polar | 33892256 | Formycin b,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3518.6 | Semi standard non polar | 33892256 | Formycin b,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3642.3 | Standard non polar | 33892256 | Formycin b,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O | 3648.8 | Standard polar | 33892256 | Formycin b,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3541.0 | Semi standard non polar | 33892256 | Formycin b,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3644.2 | Standard non polar | 33892256 | Formycin b,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C | 3628.6 | Standard polar | 33892256 | Formycin b,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C | 3535.8 | Semi standard non polar | 33892256 | Formycin b,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C | 3577.6 | Standard non polar | 33892256 | Formycin b,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C1O[Si](C)(C)C(C)(C)C | 3581.7 | Standard polar | 33892256 | Formycin b,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3656.1 | Semi standard non polar | 33892256 | Formycin b,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3734.9 | Standard non polar | 33892256 | Formycin b,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(C2=NN([Si](C)(C)C(C)(C)C)C3=C2N=CN([Si](C)(C)C(C)(C)C)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 3502.6 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (Non-derivatized) - 70eV, Positive | splash10-0abm-9650000000-fac654534747f988d03d | 2021-09-23 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_7) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_7) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Formycin b GC-MS (TMS_3_8) - 70eV, Positive | Not Available | 2021-11-04 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 10V, Positive-QTOF | splash10-0gb9-0290000000-7cbc4e9b672def73500d | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 20V, Positive-QTOF | splash10-000i-0910000000-7f5374c370e9e05cb716 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 40V, Positive-QTOF | splash10-03dr-2900000000-032c79da88134c8395c7 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 10V, Negative-QTOF | splash10-014i-0190000000-7a91ec1b0e898c60711b | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 20V, Negative-QTOF | splash10-000i-0900000000-f9cb8dac4dde8d8969cc | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Formycin b 40V, Negative-QTOF | splash10-05nf-5900000000-649b10cdedc922171707 | 2021-10-12 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-13 | Wishart Lab | View Spectrum |
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