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 17:30:14 UTC |
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Update Date | 2022-03-07 02:52:09 UTC |
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HMDB ID | HMDB0029408 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Betanin |
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Description | Betanin belongs to the class of organic compounds known as betacyanins and derivatives. These are organic compounds containing a glycoside of indolium-2-carboxylic acid attached, with the nitrogen ring of the indolium ring attached to an ethylpyridine-2,6-dicarboxylic acid derivative. Betacyanins are red nitrogenous pigments found in certain plants, such as beetroots. Betanin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Betanin. |
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Structure | OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37) |
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Synonyms | Value | Source |
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Betanine | HMDB | e162 | HMDB | Phytolaccanin | HMDB | Betalain pigments | MeSH, HMDB | 2-Carboxy-1-[2-(2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene)ethylidene]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium-6-olic acid | Generator |
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Chemical Formula | C24H26N2O13 |
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Average Molecular Weight | 550.4688 |
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Monoisotopic Molecular Weight | 550.143488928 |
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IUPAC Name | (1E)-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate |
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Traditional Name | (1E)-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-6-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-1λ⁵-indol-1-ylium-2-carboxylate |
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CAS Registry Number | 7659-95-2 |
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SMILES | OCC1OC(OC2=C(O)C=C3C(CC(C([O-])=O)\[N+]3=C/C=C3\CC(NC(=C3)C(O)=O)C(O)=O)=C2)C(O)C(O)C1O |
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InChI Identifier | InChI=1S/C24H26N2O13/c27-8-17-18(29)19(30)20(31)24(39-17)38-16-6-10-5-14(23(36)37)26(13(10)7-15(16)28)2-1-9-3-11(21(32)33)25-12(4-9)22(34)35/h1-3,6-7,12,14,17-20,24,27,29-31H,4-5,8H2,(H4,28,32,33,34,35,36,37) |
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InChI Key | DHHFDKNIEVKVKS-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as betacyanins and derivatives. These are organic compounds containing a glycoside of indolium-2-carboxylic acid attached, with the nitrogen ring of the indolium ring attached to an ethylpyridine-2,6-dicarboxylic acid derivative. Betacyanins are red nitrogenous pigments found in certain plants, such as beetroots. |
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Kingdom | Organic compounds |
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Super Class | Alkaloids and derivatives |
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Class | Betalains |
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Sub Class | Betacyanins and derivatives |
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Direct Parent | Betacyanins and derivatives |
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Alternative Parents | |
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Substituents | - Betacyanin
- Phenolic glycoside
- Indolecarboxylic acid derivative
- Indolecarboxylic acid
- Hexose monosaccharide
- O-glycosyl compound
- Glycosyl compound
- Alpha-amino acid
- Alpha-amino acid or derivatives
- L-alpha-amino acid
- Tricarboxylic acid or derivatives
- Indole or derivatives
- Tetrahydropyridine
- 1-hydroxy-2-unsubstituted benzenoid
- Benzenoid
- Monosaccharide
- Oxane
- Hydropyridine
- Amino acid
- Amino acid or derivatives
- Secondary alcohol
- Shiff base
- Carboxylic acid salt
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Enamine
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Secondary amine
- Polyol
- Amine
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Organic salt
- Carbonyl group
- Alcohol
- Organic zwitterion
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Primary alcohol
- Organic nitrogen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | |
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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 | |
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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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Betanin,1TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4929.9 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #2 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4937.8 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #3 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4876.4 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #4 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4875.0 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #5 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 4921.1 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #6 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 4899.0 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #7 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 4908.1 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #8 | C[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC1C(=O)O | 4861.9 | Semi standard non polar | 33892256 | Betanin,1TMS,isomer #8 | C[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC1C(=O)O | 4296.8 | Standard non polar | 33892256 | Betanin,2TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4858.8 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #10 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4864.1 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #11 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4815.4 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #12 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4818.2 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #13 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4792.7 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #13 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4322.8 | Standard non polar | 33892256 | Betanin,2TMS,isomer #14 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4789.3 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #15 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4768.8 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #16 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4800.0 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #17 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4767.0 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #18 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4731.6 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #18 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4343.4 | Standard non polar | 33892256 | Betanin,2TMS,isomer #19 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4787.2 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4790.3 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #20 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4770.9 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #21 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4799.3 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #22 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4743.7 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #22 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4341.6 | Standard non polar | 33892256 | Betanin,2TMS,isomer #23 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O | 4847.1 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #24 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C | 4850.7 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #25 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 4799.0 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #25 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 4325.6 | Standard non polar | 33892256 | Betanin,2TMS,isomer #26 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C | 4831.9 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #27 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 4772.7 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #27 | C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 4295.2 | Standard non polar | 33892256 | Betanin,2TMS,isomer #28 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 4791.2 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #28 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 4297.1 | Standard non polar | 33892256 | Betanin,2TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4809.0 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4861.1 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4836.4 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4850.0 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4785.9 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4363.5 | Standard non polar | 33892256 | Betanin,2TMS,isomer #8 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4852.8 | Semi standard non polar | 33892256 | Betanin,2TMS,isomer #9 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4836.7 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4705.7 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #10 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4709.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #11 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4649.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #11 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4414.2 | Standard non polar | 33892256 | Betanin,3TMS,isomer #12 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4744.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #13 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4715.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #14 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4739.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4680.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4371.6 | Standard non polar | 33892256 | Betanin,3TMS,isomer #16 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4797.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #17 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4802.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #18 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4765.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #18 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4345.1 | Standard non polar | 33892256 | Betanin,3TMS,isomer #19 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4780.2 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4734.5 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #20 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4741.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #20 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4317.7 | Standard non polar | 33892256 | Betanin,3TMS,isomer #21 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4759.6 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #21 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4318.9 | Standard non polar | 33892256 | Betanin,3TMS,isomer #22 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4776.2 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #23 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4799.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #24 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4717.7 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #25 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4736.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #26 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4738.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #26 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4281.0 | Standard non polar | 33892256 | Betanin,3TMS,isomer #27 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4798.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #28 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4694.6 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #29 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4710.4 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4809.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #30 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4716.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #30 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4274.6 | Standard non polar | 33892256 | Betanin,3TMS,isomer #31 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4732.6 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #32 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4748.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #33 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4745.5 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #33 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4321.7 | Standard non polar | 33892256 | Betanin,3TMS,isomer #34 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4691.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #35 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4662.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #35 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4335.0 | Standard non polar | 33892256 | Betanin,3TMS,isomer #36 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4689.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #36 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4341.2 | Standard non polar | 33892256 | Betanin,3TMS,isomer #37 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4685.5 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #38 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4706.0 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #39 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4659.6 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4776.0 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #40 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4657.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #40 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4313.7 | Standard non polar | 33892256 | Betanin,3TMS,isomer #41 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4708.5 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #42 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4648.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #43 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4638.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #43 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4307.4 | Standard non polar | 33892256 | Betanin,3TMS,isomer #44 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4662.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #45 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4662.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #45 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4347.2 | Standard non polar | 33892256 | Betanin,3TMS,isomer #46 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4628.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #46 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4388.8 | Standard non polar | 33892256 | Betanin,3TMS,isomer #47 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4704.0 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #48 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4724.0 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #49 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4684.2 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #49 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4319.3 | Standard non polar | 33892256 | Betanin,3TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4799.2 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #50 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4723.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #51 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4662.8 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #51 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4310.9 | Standard non polar | 33892256 | Betanin,3TMS,isomer #52 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4691.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #52 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4350.4 | Standard non polar | 33892256 | Betanin,3TMS,isomer #53 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4806.7 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #54 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O | 4751.7 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #54 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O | 4302.7 | Standard non polar | 33892256 | Betanin,3TMS,isomer #55 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C | 4758.5 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #55 | C[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C | 4284.3 | Standard non polar | 33892256 | Betanin,3TMS,isomer #56 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C | 4735.9 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #56 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C | 4261.4 | Standard non polar | 33892256 | Betanin,3TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4731.3 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4341.9 | Standard non polar | 33892256 | Betanin,3TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4648.1 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #8 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4712.6 | Semi standard non polar | 33892256 | Betanin,3TMS,isomer #9 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4681.3 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #1 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4572.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #10 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4750.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #11 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4761.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #12 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4682.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #12 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4312.9 | Standard non polar | 33892256 | Betanin,4TMS,isomer #13 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4738.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #14 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4660.3 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #14 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4276.4 | Standard non polar | 33892256 | Betanin,4TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4678.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #15 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4279.8 | Standard non polar | 33892256 | Betanin,4TMS,isomer #16 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4568.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #17 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4557.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #18 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4567.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #19 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4545.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #19 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4419.9 | Standard non polar | 33892256 | Betanin,4TMS,isomer #2 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4652.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #20 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4630.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #21 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4641.0 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #22 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4602.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #22 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4386.1 | Standard non polar | 33892256 | Betanin,4TMS,isomer #23 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4617.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #24 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4588.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #24 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4357.3 | Standard non polar | 33892256 | Betanin,4TMS,isomer #25 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4596.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #25 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4360.7 | Standard non polar | 33892256 | Betanin,4TMS,isomer #26 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4658.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #27 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4671.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #28 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4635.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #28 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4349.2 | Standard non polar | 33892256 | Betanin,4TMS,isomer #29 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4650.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #3 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4607.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #30 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4609.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #30 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4317.9 | Standard non polar | 33892256 | Betanin,4TMS,isomer #31 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4627.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #31 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4323.5 | Standard non polar | 33892256 | Betanin,4TMS,isomer #32 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4769.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #33 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4704.4 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #33 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O | 4277.5 | Standard non polar | 33892256 | Betanin,4TMS,isomer #34 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4713.3 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #34 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C | 4313.5 | Standard non polar | 33892256 | Betanin,4TMS,isomer #35 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4690.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #35 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4262.4 | Standard non polar | 33892256 | Betanin,4TMS,isomer #36 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 4749.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #37 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4623.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #38 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4646.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #39 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4652.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #39 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4227.3 | Standard non polar | 33892256 | Betanin,4TMS,isomer #4 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4639.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #40 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4649.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #41 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4671.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #42 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4666.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #42 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4276.3 | Standard non polar | 33892256 | Betanin,4TMS,isomer #43 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4604.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #44 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4604.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #44 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4282.4 | Standard non polar | 33892256 | Betanin,4TMS,isomer #45 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4619.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #45 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4296.7 | Standard non polar | 33892256 | Betanin,4TMS,isomer #46 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4640.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #47 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4662.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #48 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4672.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #48 | C[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C1 | 4254.3 | Standard non polar | 33892256 | Betanin,4TMS,isomer #49 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4588.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4580.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #5 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4378.9 | Standard non polar | 33892256 | Betanin,4TMS,isomer #50 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4582.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #50 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4276.0 | Standard non polar | 33892256 | Betanin,4TMS,isomer #51 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4596.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #51 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4287.3 | Standard non polar | 33892256 | Betanin,4TMS,isomer #52 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4609.2 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #53 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4602.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #53 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4323.8 | Standard non polar | 33892256 | Betanin,4TMS,isomer #54 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4620.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #54 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4337.5 | Standard non polar | 33892256 | Betanin,4TMS,isomer #55 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4574.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #55 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4368.0 | Standard non polar | 33892256 | Betanin,4TMS,isomer #56 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 4641.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #57 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4574.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #58 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4586.4 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #58 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4266.7 | Standard non polar | 33892256 | Betanin,4TMS,isomer #59 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4586.6 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #6 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C(O)C1O | 4681.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #60 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4600.8 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #60 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4310.6 | Standard non polar | 33892256 | Betanin,4TMS,isomer #61 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4559.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #61 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4349.8 | Standard non polar | 33892256 | Betanin,4TMS,isomer #62 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1 | 4586.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #63 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4604.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #63 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C | 4288.7 | Standard non polar | 33892256 | Betanin,4TMS,isomer #64 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4550.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #64 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4343.2 | Standard non polar | 33892256 | Betanin,4TMS,isomer #65 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4553.7 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #65 | C[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C | 4386.1 | Standard non polar | 33892256 | Betanin,4TMS,isomer #66 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 4661.1 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #67 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4605.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #67 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4277.4 | Standard non polar | 33892256 | Betanin,4TMS,isomer #68 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4622.0 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #68 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4320.8 | Standard non polar | 33892256 | Betanin,4TMS,isomer #69 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4625.9 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #69 | C[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C | 4296.9 | Standard non polar | 33892256 | Betanin,4TMS,isomer #7 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C)C1O | 4640.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #70 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4710.3 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #70 | C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C)C1O[Si](C)(C)C | 4249.1 | Standard non polar | 33892256 | Betanin,4TMS,isomer #8 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C | 4672.5 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #9 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4608.0 | Semi standard non polar | 33892256 | Betanin,4TMS,isomer #9 | C[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4342.3 | Standard non polar | 33892256 | Betanin,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5133.3 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5142.6 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5125.7 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5103.6 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 5138.2 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 5123.6 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 5135.1 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC1C(=O)O | 5135.9 | Semi standard non polar | 33892256 | Betanin,1TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)N1C(C(=O)O)=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC1C(=O)O | 4450.2 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5225.7 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5253.0 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5222.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5216.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 5233.7 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 4636.4 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5208.4 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5202.9 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5212.1 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1 | 5173.4 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5216.2 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4626.7 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5196.7 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5178.8 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5189.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #21 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5200.1 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #22 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5210.4 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #22 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4691.5 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #23 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C1O | 5260.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #24 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 5265.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #25 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 5245.5 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #25 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O | 4669.2 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #26 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C(C)(C)C | 5249.0 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #27 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 5232.0 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #27 | CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C1O | 4640.4 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #28 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 5239.3 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #28 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O | 4642.4 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5186.8 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5245.6 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5244.2 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5241.1 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5219.3 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4700.4 | Standard non polar | 33892256 | Betanin,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5246.7 | Semi standard non polar | 33892256 | Betanin,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5232.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5267.6 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5277.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5279.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #11 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4854.7 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #12 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5288.2 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #13 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5289.2 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #14 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5287.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5303.4 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #15 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4869.8 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #16 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O | 5361.0 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #17 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C | 5364.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5364.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #18 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 4823.3 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #19 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 5346.3 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5284.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5369.5 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #20 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 4790.8 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #21 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5362.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #21 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 4797.2 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #22 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5330.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #23 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5348.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #24 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5292.0 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #25 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5292.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #26 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 5362.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #26 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 4733.6 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #27 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1 | 5357.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #28 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5279.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #29 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5276.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5349.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #30 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 5350.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #30 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 4720.9 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #31 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5299.5 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #32 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5299.3 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #33 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 5363.0 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #33 | CC(C)(C)[Si](C)(C)OC1=CC2=C(C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(C(=O)[O-])/[N+]2=C\C=C1\C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C1 | 4773.6 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #34 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1 | 5274.2 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #35 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5317.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #35 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4734.7 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #36 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5330.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #36 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O[Si](C)(C)C(C)(C)C)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4819.4 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #37 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5282.3 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #38 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5290.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #39 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1 | 5248.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5337.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #40 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5309.5 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #40 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4731.6 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #41 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1 | 5302.2 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #42 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1 | 5248.6 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #43 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5306.2 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #43 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4720.4 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #44 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1 | 5243.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #45 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5305.3 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #45 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])CC(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4766.8 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #46 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 5280.9 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #46 | CC(C)(C)[Si](C)(C)OC(=O)C1=C/C(=C/C=[N+]2/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3CC2C(=O)[O-])CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C | 4828.1 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #47 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5274.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #48 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5286.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #49 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5328.5 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #49 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4816.4 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O[Si](C)(C)C(C)(C)C | 5339.0 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #50 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1 | 5295.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #51 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5324.4 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #51 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4802.0 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #52 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 5325.6 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #52 | CC(C)(C)[Si](C)(C)OC(=O)C1C/C(=C\C=[N+]2\C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C3CC2C(=O)[O-])C=C(C(=O)O)N1[Si](C)(C)C(C)(C)C | 4849.4 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #53 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C | 5371.5 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #54 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C1O | 5381.4 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #54 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C1O | 4777.9 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #55 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 5392.7 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #55 | CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C | 4751.6 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #56 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C(C)(C)C | 5370.6 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #56 | CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C1O[Si](C)(C)C(C)(C)C | 4736.2 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5334.8 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O[Si](C)(C)C(C)(C)C)/[N+](=C/C=C2/C=C(C(=O)O)N([Si](C)(C)C(C)(C)C)C(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 4795.9 | Standard non polar | 33892256 | Betanin,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O[Si](C)(C)C(C)(C)C)C2)C(C(=O)[O-])C3)C(O)C(O)C1O | 5218.1 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O[Si](C)(C)C(C)(C)C)C(O)C1O | 5278.6 | Semi standard non polar | 33892256 | Betanin,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C=C2O)/[N+](=C/C=C2/C=C(C(=O)O[Si](C)(C)C(C)(C)C)NC(C(=O)O)C2)C(C(=O)[O-])C3)C(O)C(O[Si](C)(C)C(C)(C)C)C1O | 5284.0 | 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 - Betanin GC-MS (Non-derivatized) - 70eV, Positive | splash10-06sr-6811590000-46636eb43361f2098849 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (2 TMS) - 70eV, Positive | splash10-004i-3300029000-a3df643de601301006f4 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS ("Betanin,1TMS,#1" TMS) - 70eV, Positive | Not Available | 2021-10-14 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_1_7) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_8) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_9) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_10) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_11) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_12) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_14) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_15) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_16) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_17) - 70eV, Positive | Not Available | 2021-10-15 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Betanin GC-MS (TMS_2_19) - 70eV, Positive | Not Available | 2021-10-15 | 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 - Betanin 10V, Positive-QTOF | splash10-0udi-0100090000-e8d3751464fed113038d | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 20V, Positive-QTOF | splash10-0ue9-1200090000-eb6a0bd055cce9bc0ccf | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 40V, Positive-QTOF | splash10-01ow-9801010000-69f46043e141b0e01333 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 10V, Negative-QTOF | splash10-0002-1300090000-f163fd5bba6112945538 | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 20V, Negative-QTOF | splash10-0002-5700090000-6bc84bfc087b6e018e8c | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 40V, Negative-QTOF | splash10-052f-9200000000-e4f97d60e300bc9b176b | 2016-08-04 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 10V, Negative-QTOF | splash10-0002-0003090000-12c41fae6fb421dfc9fb | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 20V, Negative-QTOF | splash10-00dl-1709270000-ac3f053be7f6646a8ea4 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 40V, Negative-QTOF | splash10-0006-0109110000-8cab56ea03fccc586da6 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 10V, Positive-QTOF | splash10-0zms-0105190000-337da834c51fdb43b82f | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 20V, Positive-QTOF | splash10-059e-0109550000-b3f8eafba5be1f7b8754 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Betanin 40V, Positive-QTOF | splash10-0fbi-2319210000-2eebd8f8d7eec66cd5ed | 2021-09-23 | 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) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum |
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