Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 18:09:05 UTC |
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Update Date | 2022-03-07 02:53:42 UTC |
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HMDB ID | HMDB0033420 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Gibberellin A55 |
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Description | Gibberellin A55, also known as GA55, belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. Based on a literature review a small amount of articles have been published on Gibberellin A55. |
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Structure | [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C[C@@H](O)[C@@]21OC3=O InChI=1S/C19H24O7/c1-8-6-17-7-18(8,25)4-3-9(17)19-11(21)5-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,16-,17+,18+,19+/m1/s1 |
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Synonyms | Value | Source |
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GA55 | HMDB | Gibberellin A55 | HMDB |
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Chemical Formula | C19H24O7 |
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Average Molecular Weight | 364.394 |
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Monoisotopic Molecular Weight | 364.152203113 |
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IUPAC Name | (1R,2R,5S,8S,9S,10R,11S,12S,14R)-5,12,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid |
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Traditional Name | (1R,2R,5S,8S,9S,10R,11S,12S,14R)-5,12,14-trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid |
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CAS Registry Number | 55035-85-3 |
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SMILES | [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)C[C@@H](O)[C@@]21OC3=O |
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InChI Identifier | InChI=1S/C19H24O7/c1-8-6-17-7-18(8,25)4-3-9(17)19-11(21)5-10(20)16(2,15(24)26-19)13(19)12(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,16-,17+,18+,19+/m1/s1 |
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InChI Key | VBGCOGBXULKCAO-MNGIPNJZSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as c19-gibberellin 6-carboxylic acids. These are c19-gibberellins with a carboxyl group at the 6-position. |
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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 | Diterpenoids |
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Direct Parent | C19-gibberellin 6-carboxylic acids |
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Alternative Parents | |
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Substituents | - 20-norgibberellane-6-carboxylic acid
- Diterpene lactone
- Caprolactone
- Oxepane
- Gamma butyrolactone
- Dicarboxylic acid or derivatives
- Tetrahydrofuran
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Lactone
- Carboxylic acid ester
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic 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 | |
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Role | |
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Physical Properties |
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State | Solid |
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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 SectionsPredictor | Adduct Type | CCS Value (Å2) | Reference |
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DeepCCS | [M-2H]- | 214.328 | 30932474 | DeepCCS | [M+Na]+ | 188.458 | 30932474 |
Predicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Gibberellin A55,1TMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 2837.0 | Semi standard non polar | 33892256 | Gibberellin A55,1TMS,isomer #2 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2780.9 | Semi standard non polar | 33892256 | Gibberellin A55,1TMS,isomer #3 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 2803.4 | Semi standard non polar | 33892256 | Gibberellin A55,1TMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O | 2807.1 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 2842.1 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #2 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O | 2841.5 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #3 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2819.0 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2793.3 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #5 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2796.3 | Semi standard non polar | 33892256 | Gibberellin A55,2TMS,isomer #6 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O | 2809.2 | Semi standard non polar | 33892256 | Gibberellin A55,3TMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O | 2838.1 | Semi standard non polar | 33892256 | Gibberellin A55,3TMS,isomer #2 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2827.8 | Semi standard non polar | 33892256 | Gibberellin A55,3TMS,isomer #3 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2821.4 | Semi standard non polar | 33892256 | Gibberellin A55,3TMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2810.6 | Semi standard non polar | 33892256 | Gibberellin A55,4TMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2832.3 | Semi standard non polar | 33892256 | Gibberellin A55,1TBDMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 3062.8 | Semi standard non polar | 33892256 | Gibberellin A55,1TBDMS,isomer #2 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3010.7 | Semi standard non polar | 33892256 | Gibberellin A55,1TBDMS,isomer #3 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 3007.4 | Semi standard non polar | 33892256 | Gibberellin A55,1TBDMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O | 3014.1 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O | 3271.6 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #2 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O | 3270.1 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #3 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3272.4 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3229.5 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #5 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3233.2 | Semi standard non polar | 33892256 | Gibberellin A55,2TBDMS,isomer #6 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O | 3226.4 | Semi standard non polar | 33892256 | Gibberellin A55,3TBDMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O | 3468.9 | Semi standard non polar | 33892256 | Gibberellin A55,3TBDMS,isomer #2 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3482.9 | Semi standard non polar | 33892256 | Gibberellin A55,3TBDMS,isomer #3 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3479.9 | Semi standard non polar | 33892256 | Gibberellin A55,3TBDMS,isomer #4 | C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3444.4 | Semi standard non polar | 33892256 | Gibberellin A55,4TBDMS,isomer #1 | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@]12OC(=O)[C@](C)([C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3677.1 | Semi standard non 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 - Gibberellin A55 GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_1_4) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_2) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_3) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_4) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_5) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A55 GC-MS (TBDMS_2_6) - 70eV, Positive | Not Available | 2021-10-12 | 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 - Gibberellin A55 10V, Negative-QTOF | splash10-03di-0009000000-cbbc9df830dd6d6ce0ea | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A55 20V, Negative-QTOF | splash10-03di-0009000000-684e99c3998cbe39d624 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A55 40V, Negative-QTOF | splash10-03di-1009000000-f1afcb2a5b485c5e0890 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A55 10V, Positive-QTOF | splash10-014i-0009000000-bff3539695294a4b1268 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A55 20V, Positive-QTOF | splash10-014i-0009000000-8f9c8056ae822820e2d4 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A55 40V, Positive-QTOF | splash10-014j-0239000000-93882600fe341be43a8b | 2021-09-24 | 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) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-25 | Wishart Lab | View Spectrum |
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