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 has been detected, but not quantified in, several different foods, such as sweet bays (Laurus nobilis), sea-buckthornberries (Hippophae rhamnoides), fennels (Foeniculum vulgare), yautia (Xanthosoma sagittifolium), and malus (crab apple). This could make betanin a potential biomarker for the consumption of these foods. 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
- Hexose monosaccharide
- Indolecarboxylic acid
- Indolecarboxylic acid derivative
- O-glycosyl compound
- Glycosyl compound
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Tricarboxylic acid or derivatives
- Indole or derivatives
- 1-hydroxy-2-unsubstituted benzenoid
- Tetrahydropyridine
- Oxane
- Monosaccharide
- Benzenoid
- Hydropyridine
- Amino acid
- Carboxylic acid salt
- Secondary alcohol
- Amino acid or derivatives
- Shiff base
- 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 | Not Available |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | |
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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 | | Show more...
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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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Spectra |
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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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Biological Properties |
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Cellular Locations | |
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Biospecimen Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | |
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Normal Concentrations |
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| Not Available |
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Abnormal Concentrations |
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| Not Available |
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Associated Disorders and Diseases |
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Disease References | None |
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Associated OMIM IDs | None |
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External Links |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FooDB ID | FDB000497 |
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KNApSAcK ID | C00001584 |
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Chemspider ID | 10128200 |
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KEGG Compound ID | C08540 |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Betanin |
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METLIN ID | Not Available |
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PubChem Compound | 441603 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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MarkerDB ID | Not Available |
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Good Scents ID | rw1607041 |
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References |
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Synthesis Reference | Not Available |
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Material Safety Data Sheet (MSDS) | Not Available |
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General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
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