Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-12 03:39:44 UTC |
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Update Date | 2022-03-07 02:57:11 UTC |
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HMDB ID | HMDB0041741 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | Glycitein 7-O-glucuronide |
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Description | Glycitein 7-O-glucuronide belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. Based on a literature review very few articles have been published on Glycitein 7-O-glucuronide. |
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Structure | COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C1 InChI=1S/C22H20O11/c1-30-14-6-11-13(31-8-12(16(11)24)9-2-4-10(23)5-3-9)7-15(14)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
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Synonyms | Value | Source |
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(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylate | HMDB |
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Chemical Formula | C22H20O11 |
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Average Molecular Weight | 460.3876 |
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Monoisotopic Molecular Weight | 460.100561482 |
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IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid |
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Traditional Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxane-2-carboxylic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C2OC=C(C3=CC=C(O)C=C3)C(=O)C2=C1 |
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InChI Identifier | InChI=1S/C22H20O11/c1-30-14-6-11-13(31-8-12(16(11)24)9-2-4-10(23)5-3-9)7-15(14)32-22-19(27)17(25)18(26)20(33-22)21(28)29/h2-8,17-20,22-23,25-27H,1H3,(H,28,29)/t17-,18-,19+,20-,22+/m0/s1 |
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InChI Key | HVZUFDAWJOXFQU-SXFAUFNYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as isoflavonoid o-glycosides. These are o-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. |
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Kingdom | Organic compounds |
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Super Class | Phenylpropanoids and polyketides |
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Class | Isoflavonoids |
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Sub Class | Isoflavonoid O-glycosides |
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Direct Parent | Isoflavonoid O-glycosides |
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Alternative Parents | |
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Substituents | - Isoflavonoid o-glycoside
- Isoflavonoid-5-o-glycoside
- Isoflavone
- Hydroxyisoflavonoid
- Phenolic glycoside
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Chromone
- Glycosyl compound
- O-glycosyl compound
- 1-benzopyran
- Benzopyran
- 1-hydroxy-2-unsubstituted benzenoid
- Beta-hydroxy acid
- Pyranone
- Phenol
- Pyran
- Hydroxy acid
- Monocyclic benzene moiety
- Benzenoid
- Monosaccharide
- Oxane
- Heteroaromatic compound
- Vinylogous ester
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Acetal
- Polyol
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid
- Organooxygen compound
- Carbonyl group
- Alcohol
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- 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 | |
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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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Glycitein 7-O-glucuronide,1TMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4111.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4089.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4116.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4094.9 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 4114.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3994.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #10 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 4001.2 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 3997.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 3970.4 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3980.6 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3978.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #6 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 3950.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #7 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3960.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #8 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3990.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TMS,isomer #9 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3984.9 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3946.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #10 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3943.2 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3926.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3939.2 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 3916.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3937.1 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #6 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3926.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #7 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3917.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #8 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3922.9 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TMS,isomer #9 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3907.9 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,4TMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3925.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,4TMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3942.2 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,4TMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3941.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,4TMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 3931.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,4TMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3911.1 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,5TMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C)C=C1)C2=O | 3951.1 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TBDMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4348.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TBDMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4345.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TBDMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4376.4 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TBDMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4412.9 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,1TBDMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4395.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4534.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #10 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4560.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4513.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4455.6 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4469.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4541.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #6 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4477.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #7 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4459.6 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #8 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4558.6 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,2TBDMS,isomer #9 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4520.7 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #1 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4693.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #10 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4702.0 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #2 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4677.6 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #3 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4708.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #4 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O)C=C1)C2=O | 4598.2 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #5 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4637.5 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #6 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4598.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #7 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4678.3 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #8 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C2=O | 4693.8 | Semi standard non polar | 33892256 | Glycitein 7-O-glucuronide,3TBDMS,isomer #9 | COC1=CC2=C(C=C1O[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)OC=C(C1=CC=C(O)C=C1)C2=O | 4601.8 | Semi standard non polar | 33892256 |
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