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 23:46:05 UTC |
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Update Date | 2022-03-07 02:55:46 UTC |
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HMDB ID | HMDB0038450 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Gibberellin A86 |
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Description | Gibberellin A86, also known as GA86, 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 A86. |
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Structure | [H][C@@]12C[C@H](O)[C@]3(O)C[C@]1([C@H](O)C3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11-,12-,13-,16-,17-,18+,19-/m1/s1 |
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Synonyms | Value | Source |
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GA86 | HMDB | Gibberellin A86 | HMDB |
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Chemical Formula | C19H24O8 |
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Average Molecular Weight | 380.393 |
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Monoisotopic Molecular Weight | 380.147117733 |
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IUPAC Name | (1R,2R,4S,5S,7S,8R,9S,10R,11S,12S)-4,5,7,12-tetrahydroxy-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,4S,5S,7S,8R,9S,10R,11S,12S)-4,5,7,12-tetrahydroxy-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 | 138703-93-2 |
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SMILES | [H][C@@]12C[C@H](O)[C@]3(O)C[C@]1([C@H](O)C3=C)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O |
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InChI Identifier | InChI=1S/C19H24O8/c1-7-13(22)17-6-18(7,26)10(21)5-8(17)19-4-3-9(20)16(2,15(25)27-19)12(19)11(17)14(23)24/h8-13,20-22,26H,1,3-6H2,2H3,(H,23,24)/t8-,9+,10+,11-,12-,13-,16-,17-,18+,19-/m1/s1 |
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InChI Key | JMGSTZUVIHCAAA-VXURTKDUSA-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
- Dicarboxylic acid or derivatives
- Gamma butyrolactone
- Cyclic alcohol
- Tetrahydrofuran
- Tertiary alcohol
- Carboxylic acid ester
- Secondary alcohol
- Lactone
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Organic oxide
- Hydrocarbon derivative
- Organic oxygen compound
- Carbonyl group
- Alcohol
- Organooxygen compound
- 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 SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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Gibberellin A86,1TMS,isomer #1 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2895.8 | Semi standard non polar | 33892256 | Gibberellin A86,1TMS,isomer #2 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2910.5 | Semi standard non polar | 33892256 | Gibberellin A86,1TMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2909.0 | Semi standard non polar | 33892256 | Gibberellin A86,1TMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2889.6 | Semi standard non polar | 33892256 | Gibberellin A86,1TMS,isomer #5 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2912.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2892.2 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #10 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2891.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #2 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2905.5 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #3 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2893.6 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2876.4 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #5 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2925.9 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #6 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2921.7 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #7 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2906.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #8 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2907.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TMS,isomer #9 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2890.1 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2904.4 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #10 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2895.2 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #2 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2892.2 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2881.4 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2903.6 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #5 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2896.0 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #6 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2884.2 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #7 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2920.3 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #8 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2904.0 | Semi standard non polar | 33892256 | Gibberellin A86,3TMS,isomer #9 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2908.7 | Semi standard non polar | 33892256 | Gibberellin A86,4TMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 2911.9 | Semi standard non polar | 33892256 | Gibberellin A86,4TMS,isomer #2 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2901.2 | Semi standard non polar | 33892256 | Gibberellin A86,4TMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2890.0 | Semi standard non polar | 33892256 | Gibberellin A86,4TMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2910.1 | Semi standard non polar | 33892256 | Gibberellin A86,4TMS,isomer #5 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2913.0 | Semi standard non polar | 33892256 | Gibberellin A86,5TMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C | 2922.6 | Semi standard non polar | 33892256 | Gibberellin A86,1TBDMS,isomer #1 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3111.2 | Semi standard non polar | 33892256 | Gibberellin A86,1TBDMS,isomer #2 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3150.4 | Semi standard non polar | 33892256 | Gibberellin A86,1TBDMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3128.1 | Semi standard non polar | 33892256 | Gibberellin A86,1TBDMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3131.3 | Semi standard non polar | 33892256 | Gibberellin A86,1TBDMS,isomer #5 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3118.1 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3334.2 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #10 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3334.9 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #2 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3351.4 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #3 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3328.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3333.7 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #5 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3373.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #6 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3361.8 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #7 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3371.3 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #8 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3336.6 | Semi standard non polar | 33892256 | Gibberellin A86,2TBDMS,isomer #9 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3342.3 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3564.0 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #10 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3544.4 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #2 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3539.3 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3548.8 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3552.1 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #5 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3553.2 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #6 | C=C1[C@@H](O)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3546.5 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #7 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3572.9 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #8 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3570.6 | Semi standard non polar | 33892256 | Gibberellin A86,3TBDMS,isomer #9 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3570.4 | Semi standard non polar | 33892256 | Gibberellin A86,4TBDMS,isomer #1 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O | 3749.1 | Semi standard non polar | 33892256 | Gibberellin A86,4TBDMS,isomer #2 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3752.2 | Semi standard non polar | 33892256 | Gibberellin A86,4TBDMS,isomer #3 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3733.9 | Semi standard non polar | 33892256 | Gibberellin A86,4TBDMS,isomer #4 | C=C1[C@@H](O)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3751.5 | Semi standard non polar | 33892256 | Gibberellin A86,4TBDMS,isomer #5 | C=C1[C@@H](O[Si](C)(C)C(C)(C)C)[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C(C)(C)C | 3765.6 | 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 A86 GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Gibberellin A86 GC-MS (Non-derivatized) - 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 A86 10V, Positive-QTOF | splash10-001i-0009000000-c1a10c092c3c5622e2ce | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A86 20V, Positive-QTOF | splash10-00lr-0009000000-5e29b2df1007c289e4fe | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A86 40V, Positive-QTOF | splash10-0ue9-0009000000-e74afae22dee4785dc7e | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A86 10V, Negative-QTOF | splash10-004i-0009000000-43c25bbcf9c90cf9fbe1 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A86 20V, Negative-QTOF | splash10-01t9-0009000000-1cdc6e4274be231bac53 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Gibberellin A86 40V, Negative-QTOF | splash10-00rt-0009000000-c463d13a5a492e482dc2 | 2021-09-24 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
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